NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
576110 | 2m2l | 18920 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 3.132 0.153 -0.992 3 HB2 MET 1 2HB MET 1 2.352 -1.258 -2.952 4 HB3 MET 1 3HB MET 1 2.508 -2.092 -1.411 5 HG2 MET 1 2HG MET 1 -0.150 -0.986 -1.881 6 HG3 MET 1 3HG MET 1 0.342 -2.193 -3.067 7 HE1 MET 1 3HE MET 1 0.075 -5.192 -2.086 8 HE2 MET 1 1HE MET 1 -1.538 -4.708 -1.562 9 HE3 MET 1 2HE MET 1 -0.788 -3.917 -2.948 10 H HIS 2 H HIS 2 -0.247 0.932 -1.518 11 HA HIS 2 HA HIS 2 -1.278 2.547 -2.743 12 HB2 HIS 2 2HB HIS 2 1.464 3.811 -2.911 13 HB3 HIS 2 3HB HIS 2 -0.083 4.618 -3.150 14 HD1 HIS 2 HD1 HIS 2 2.433 4.253 -0.694 15 HD2 HIS 2 HD2 HIS 2 -1.720 4.320 -0.592 16 HE1 HIS 2 HE1 HIS 2 1.828 4.806 1.683 17 H HIS 3 H HIS 3 -0.558 0.275 -4.134 18 HA HIS 3 HA HIS 3 0.910 0.629 -6.472 19 HB2 HIS 3 2HB HIS 3 -0.645 -1.400 -5.357 20 HB3 HIS 3 3HB HIS 3 -1.423 -1.049 -6.898 21 HD1 HIS 3 HD1 HIS 3 -0.016 -1.478 -9.057 22 HD2 HIS 3 HD2 HIS 3 1.817 -2.671 -5.524 23 HE1 HIS 3 HE1 HIS 3 1.898 -2.952 -9.756 24 H HIS 4 H HIS 4 0.487 1.450 -8.462 25 HA HIS 4 HA HIS 4 -2.147 2.713 -8.852 26 HB2 HIS 4 2HB HIS 4 0.609 3.763 -9.276 27 HB3 HIS 4 3HB HIS 4 -0.638 4.254 -10.419 28 HD1 HIS 4 HD1 HIS 4 0.911 5.538 -7.598 29 HD2 HIS 4 HD2 HIS 4 -3.084 5.081 -8.646 30 HE1 HIS 4 HE1 HIS 4 -0.351 7.182 -6.174 31 H HIS 5 H HIS 5 -2.720 3.060 -11.157 32 HA HIS 5 HA HIS 5 -1.946 0.704 -12.720 33 HB2 HIS 5 2HB HIS 5 -4.251 2.587 -13.241 34 HB3 HIS 5 3HB HIS 5 -3.995 0.990 -13.939 35 HD1 HIS 5 HD1 HIS 5 -4.130 -1.042 -12.138 36 HD2 HIS 5 HD2 HIS 5 -5.771 2.597 -10.988 37 HE1 HIS 5 HE1 HIS 5 -5.644 -1.570 -10.201 38 H HIS 6 H HIS 6 -2.540 1.429 -15.252 39 HA HIS 6 HA HIS 6 -0.580 3.557 -15.805 40 HB2 HIS 6 2HB HIS 6 -0.282 2.389 -18.017 41 HB3 HIS 6 3HB HIS 6 0.255 1.466 -16.616 42 HD1 HIS 6 HD1 HIS 6 -2.181 1.429 -19.406 43 HD2 HIS 6 HD2 HIS 6 -1.376 -0.773 -15.976 44 HE1 HIS 6 HE1 HIS 6 -3.488 -0.705 -19.654 45 H HIS 7 H HIS 7 -1.406 5.370 -16.585 46 HA HIS 7 HA HIS 7 -3.441 5.314 -18.635 47 HB2 HIS 7 2HB HIS 7 -4.046 6.039 -15.840 48 HB3 HIS 7 3HB HIS 7 -4.619 7.184 -17.049 49 HD1 HIS 7 HD1 HIS 7 -6.267 5.036 -15.200 50 HD2 HIS 7 HD2 HIS 7 -5.561 4.917 -19.293 51 HE1 HIS 7 HE1 HIS 7 -8.095 3.597 -16.157 52 H GLU 8 H GLU 8 -4.009 7.646 -19.286 53 HA GLU 8 HA GLU 8 -1.611 8.977 -19.945 54 HB2 GLU 8 2HB GLU 8 -4.120 9.014 -20.950 55 HB3 GLU 8 3HB GLU 8 -4.128 10.529 -20.058 56 HG2 GLU 8 2HG GLU 8 -2.484 11.470 -21.374 57 HG3 GLU 8 3HG GLU 8 -1.870 9.906 -21.906 58 H VAL 9 H VAL 9 -0.725 10.900 -19.220 59 HA VAL 9 HA VAL 9 -0.144 12.525 -17.734 60 HB VAL 9 HB VAL 9 -3.054 12.350 -16.942 61 HG11 VAL 9 1HG1 VAL 9 -1.781 13.301 -15.122 62 HG12 VAL 9 2HG1 VAL 9 -0.965 14.407 -16.230 63 HG13 VAL 9 3HG1 VAL 9 -2.695 14.575 -15.929 64 HG21 VAL 9 3HG2 VAL 9 -1.534 13.915 -18.977 65 HG22 VAL 9 1HG2 VAL 9 -3.104 13.122 -19.108 66 HG23 VAL 9 2HG2 VAL 9 -2.953 14.637 -18.217 67 HA PRO 10 HA PRO 10 0.982 10.064 -14.228 68 HB2 PRO 10 2HB PRO 10 2.489 11.942 -12.975 69 HB3 PRO 10 3HB PRO 10 3.046 11.057 -14.400 70 HG2 PRO 10 2HG PRO 10 1.883 13.809 -14.214 71 HG3 PRO 10 3HG PRO 10 3.266 13.242 -15.167 72 HD2 PRO 10 2HD PRO 10 0.813 13.627 -16.247 73 HD3 PRO 10 3HD PRO 10 1.925 12.371 -16.828 74 H GLN 11 H GLN 11 -1.447 10.348 -13.697 75 HA GLN 11 HA GLN 11 -3.119 10.926 -12.249 76 HB2 GLN 11 2HB GLN 11 -0.743 10.876 -10.383 77 HB3 GLN 11 3HB GLN 11 -2.420 10.900 -9.852 78 HG2 GLN 11 2HG GLN 11 -0.934 8.724 -11.274 79 HG3 GLN 11 3HG GLN 11 -1.783 8.661 -9.731 80 HE21 GLN 11 1HE2 GLN 11 -2.109 8.637 -13.189 81 HE22 GLN 11 2HE2 GLN 11 -3.749 8.095 -13.235 82 H THR 12 H THR 12 -3.425 12.998 -13.305 83 HA THR 12 HA THR 12 -3.300 15.162 -11.422 84 HB THR 12 HB THR 12 -1.715 15.390 -13.988 85 HG1 THR 12 HG1 THR 12 -0.845 15.715 -11.296 86 HG21 THR 12 3HG2 THR 12 -2.314 17.471 -11.882 87 HG22 THR 12 1HG2 THR 12 -2.954 17.447 -13.525 88 HG23 THR 12 2HG2 THR 12 -1.227 17.680 -13.255 89 H PHE 13 H PHE 13 -4.012 14.026 -14.672 90 HA PHE 13 HA PHE 13 -5.781 14.394 -16.054 91 HB2 PHE 13 2HB PHE 13 -6.844 14.620 -13.485 92 HB3 PHE 13 3HB PHE 13 -7.418 16.058 -14.323 93 HD1 PHE 13 HD1 PHE 13 -7.194 12.364 -14.669 94 HD2 PHE 13 HD2 PHE 13 -9.266 15.932 -15.714 95 HE1 PHE 13 HE1 PHE 13 -8.947 11.024 -15.756 96 HE2 PHE 13 HE2 PHE 13 -11.023 14.598 -16.802 97 HZ PHE 13 HZ PHE 13 -10.865 12.140 -16.823 98 H GLU 14 H GLU 14 -5.899 15.800 -17.682 99 HA GLU 14 HA GLU 14 -5.086 18.578 -17.163 100 HB2 GLU 14 2HB GLU 14 -4.712 18.591 -19.694 101 HB3 GLU 14 3HB GLU 14 -3.592 17.650 -18.719 102 HG2 GLU 14 2HG GLU 14 -4.409 15.639 -19.469 103 HG3 GLU 14 3HG GLU 14 -5.983 16.313 -19.888 104 H VAL 15 H VAL 15 -6.916 19.693 -16.752 105 HA VAL 15 HA VAL 15 -9.152 19.416 -18.649 106 HB VAL 15 HB VAL 15 -9.278 20.678 -15.912 107 HG11 VAL 15 1HG1 VAL 15 -11.174 20.227 -18.108 108 HG12 VAL 15 2HG1 VAL 15 -11.769 19.780 -16.507 109 HG13 VAL 15 3HG1 VAL 15 -11.199 21.422 -16.811 110 HG21 VAL 15 3HG2 VAL 15 -9.292 17.857 -16.708 111 HG22 VAL 15 1HG2 VAL 15 -8.999 18.592 -15.131 112 HG23 VAL 15 2HG2 VAL 15 -10.651 18.335 -15.691 113 H GLU 16 H GLU 16 -10.210 21.315 -19.396 114 HA GLU 16 HA GLU 16 -8.405 23.465 -19.961 115 HB2 GLU 16 2HB GLU 16 -10.906 22.488 -20.984 116 HB3 GLU 16 3HB GLU 16 -11.026 24.218 -20.693 117 HG2 GLU 16 2HG GLU 16 -8.589 23.307 -22.074 118 HG3 GLU 16 3HG GLU 16 -10.099 23.146 -22.968 119 H ARG 17 H ARG 17 -11.683 23.540 -18.553 120 HA ARG 17 HA ARG 17 -10.952 25.032 -16.276 121 HB2 ARG 17 2HB ARG 17 -11.418 27.219 -16.806 122 HB3 ARG 17 3HB ARG 17 -10.727 26.670 -18.327 123 HG2 ARG 17 2HG ARG 17 -13.658 26.925 -17.687 124 HG3 ARG 17 3HG ARG 17 -12.710 27.992 -18.725 125 HD2 ARG 17 2HD ARG 17 -12.198 25.575 -19.848 126 HD3 ARG 17 3HD ARG 17 -13.845 25.335 -19.267 127 HE ARG 17 HE ARG 17 -13.051 26.888 -21.498 128 HH11 ARG 17 1HH1 ARG 17 -15.324 26.824 -18.862 129 HH12 ARG 17 2HH1 ARG 17 -16.518 27.761 -19.698 130 HH21 ARG 17 1HH2 ARG 17 -14.615 28.122 -22.608 131 HH22 ARG 17 2HH2 ARG 17 -16.114 28.498 -21.829 132 H ILE 18 H ILE 18 -12.894 25.889 -15.112 133 HA ILE 18 HA ILE 18 -14.948 23.931 -15.114 134 HB ILE 18 HB ILE 18 -14.943 26.612 -13.724 135 HG12 ILE 18 2HG1 ILE 18 -12.986 24.972 -13.298 136 HG13 ILE 18 3HG1 ILE 18 -13.841 25.630 -11.907 137 HG21 ILE 18 1HG2 ILE 18 -17.091 25.957 -13.411 138 HG22 ILE 18 2HG2 ILE 18 -16.723 24.250 -13.652 139 HG23 ILE 18 3HG2 ILE 18 -16.354 25.022 -12.110 140 HD11 ILE 18 3HD1 ILE 18 -14.885 23.623 -11.440 141 HD12 ILE 18 1HD1 ILE 18 -14.650 23.003 -13.075 142 HD13 ILE 18 2HD1 ILE 18 -13.280 23.119 -11.969 143 H VAL 19 H VAL 19 -16.435 23.804 -16.663 144 HA VAL 19 HA VAL 19 -17.193 25.862 -18.398 145 HB VAL 19 HB VAL 19 -18.946 23.519 -17.671 146 HG11 VAL 19 1HG1 VAL 19 -19.500 25.565 -19.313 147 HG12 VAL 19 2HG1 VAL 19 -18.661 24.501 -20.442 148 HG13 VAL 19 3HG1 VAL 19 -20.088 23.925 -19.581 149 HG21 VAL 19 3HG2 VAL 19 -17.503 22.810 -19.924 150 HG22 VAL 19 1HG2 VAL 19 -16.300 23.537 -18.858 151 HG23 VAL 19 2HG2 VAL 19 -17.274 22.180 -18.293 152 H ARG 20 H ARG 20 -19.016 24.492 -15.652 153 HA ARG 20 HA ARG 20 -20.005 27.069 -14.890 154 HB2 ARG 20 2HB ARG 20 -22.394 26.567 -15.237 155 HB3 ARG 20 3HB ARG 20 -21.511 26.660 -16.754 156 HG2 ARG 20 2HG ARG 20 -21.733 23.976 -15.564 157 HG3 ARG 20 3HG ARG 20 -23.236 24.698 -16.142 158 HD2 ARG 20 2HD ARG 20 -21.273 25.192 -18.107 159 HD3 ARG 20 3HD ARG 20 -21.115 23.499 -17.639 160 HE ARG 20 HE ARG 20 -23.150 23.068 -18.610 161 HH11 ARG 20 1HH1 ARG 20 -22.709 26.508 -18.309 162 HH12 ARG 20 2HH1 ARG 20 -24.096 26.901 -19.271 163 HH21 ARG 20 1HH2 ARG 20 -24.978 23.573 -19.878 164 HH22 ARG 20 2HH2 ARG 20 -25.386 25.231 -20.162 165 H LYS 21 H LYS 21 -22.089 26.492 -13.320 166 HA LYS 21 HA LYS 21 -21.579 24.106 -11.761 167 HB2 LYS 21 2HB LYS 21 -21.043 25.218 -9.706 168 HB3 LYS 21 3HB LYS 21 -19.919 25.787 -10.934 169 HG2 LYS 21 2HG LYS 21 -20.993 27.873 -11.099 170 HG3 LYS 21 3HG LYS 21 -22.410 27.301 -10.216 171 HD2 LYS 21 2HD LYS 21 -20.418 26.846 -8.413 172 HD3 LYS 21 3HD LYS 21 -19.840 28.306 -9.218 173 HE2 LYS 21 2HE LYS 21 -22.475 27.898 -7.817 174 HE3 LYS 21 3HE LYS 21 -21.161 28.971 -7.341 175 HZ1 LYS 21 3HZ LYS 21 -21.672 29.872 -9.789 176 HZ2 LYS 21 1HZ LYS 21 -22.417 30.485 -8.400 177 HZ3 LYS 21 2HZ LYS 21 -23.218 29.342 -9.355 178 H LYS 22 H LYS 22 -23.177 23.776 -10.072 179 HA LYS 22 HA LYS 22 -25.393 25.506 -9.728 180 HB2 LYS 22 2HB LYS 22 -27.099 24.391 -10.942 181 HB3 LYS 22 3HB LYS 22 -25.777 24.639 -12.075 182 HG2 LYS 22 2HG LYS 22 -25.930 22.483 -12.563 183 HG3 LYS 22 3HG LYS 22 -25.262 22.153 -10.963 184 HD2 LYS 22 2HD LYS 22 -27.159 21.062 -10.528 185 HD3 LYS 22 3HD LYS 22 -27.950 22.639 -10.487 186 HE2 LYS 22 2HE LYS 22 -28.159 22.365 -13.035 187 HE3 LYS 22 3HE LYS 22 -27.795 20.665 -12.742 188 HZ1 LYS 22 3HZ LYS 22 -30.067 22.195 -11.595 189 HZ2 LYS 22 1HZ LYS 22 -29.699 20.586 -11.224 190 HZ3 LYS 22 2HZ LYS 22 -30.163 21.006 -12.795 191 H ILE 23 H ILE 23 -26.733 24.837 -8.067 192 HA ILE 23 HA ILE 23 -25.883 22.369 -6.706 193 HB ILE 23 HB ILE 23 -26.360 23.332 -4.643 194 HG12 ILE 23 2HG1 ILE 23 -27.527 25.762 -4.799 195 HG13 ILE 23 3HG1 ILE 23 -28.247 24.995 -6.211 196 HG21 ILE 23 1HG2 ILE 23 -24.867 25.040 -4.544 197 HG22 ILE 23 2HG2 ILE 23 -24.544 24.507 -6.193 198 HG23 ILE 23 3HG2 ILE 23 -25.589 25.898 -5.904 199 HD11 ILE 23 3HD1 ILE 23 -28.366 23.194 -4.003 200 HD12 ILE 23 1HD1 ILE 23 -29.019 24.760 -3.523 201 HD13 ILE 23 2HD1 ILE 23 -29.682 23.920 -4.924 202 H VAL 24 H VAL 24 -27.446 21.009 -5.761 203 HA VAL 24 HA VAL 24 -30.237 21.480 -6.538 204 HB VAL 24 HB VAL 24 -29.334 18.678 -6.755 205 HG11 VAL 24 1HG1 VAL 24 -31.142 18.479 -8.091 206 HG12 VAL 24 2HG1 VAL 24 -31.618 19.994 -7.321 207 HG13 VAL 24 3HG1 VAL 24 -30.842 20.014 -8.905 208 HG21 VAL 24 3HG2 VAL 24 -28.517 20.760 -8.778 209 HG22 VAL 24 1HG2 VAL 24 -27.452 19.720 -7.832 210 HG23 VAL 24 2HG2 VAL 24 -28.497 19.021 -9.068 211 H HIS 25 H HIS 25 -31.553 21.222 -4.865 212 HA HIS 25 HA HIS 25 -32.345 20.678 -2.801 213 HB2 HIS 25 2HB HIS 25 -31.972 18.356 -4.094 214 HB3 HIS 25 3HB HIS 25 -30.863 18.104 -2.749 215 HD1 HIS 25 HD1 HIS 25 -31.891 17.824 -0.402 216 HD2 HIS 25 HD2 HIS 25 -34.693 18.386 -3.417 217 HE1 HIS 25 HE1 HIS 25 -34.111 17.244 0.627 218 H GLY 26 H GLY 26 -29.642 21.937 -3.081 219 HA2 GLY 26 2HA GLY 26 -28.376 22.880 -1.326 220 HA3 GLY 26 3HA GLY 26 -28.841 21.534 -0.297 221 H ASN 27 H ASN 27 -27.815 20.639 -3.421 222 HA ASN 27 HA ASN 27 -25.168 19.910 -2.351 223 HB2 ASN 27 2HB ASN 27 -26.854 18.418 -4.374 224 HB3 ASN 27 3HB ASN 27 -25.238 17.948 -3.852 225 HD21 ASN 27 1HD2 ASN 27 -27.626 16.401 -3.656 226 HD22 ASN 27 2HD2 ASN 27 -27.904 16.099 -1.977 227 H THR 28 H THR 28 -23.769 21.336 -3.177 228 HA THR 28 HA THR 28 -24.082 22.643 -5.669 229 HB THR 28 HB THR 28 -21.398 22.341 -4.366 230 HG1 THR 28 HG1 THR 28 -21.978 23.777 -2.785 231 HG21 THR 28 3HG2 THR 28 -22.710 24.813 -5.466 232 HG22 THR 28 1HG2 THR 28 -21.857 23.670 -6.502 233 HG23 THR 28 2HG2 THR 28 -20.994 24.501 -5.208 234 H SER 29 H SER 29 -23.069 22.327 -7.636 235 HA SER 29 HA SER 29 -21.395 19.954 -7.972 236 HB2 SER 29 2HB SER 29 -23.903 20.467 -9.590 237 HB3 SER 29 3HB SER 29 -22.729 19.189 -9.905 238 HG SER 29 HG SER 29 -24.587 18.522 -8.660 239 H TYR 30 H TYR 30 -19.712 20.369 -9.242 240 HA TYR 30 HA TYR 30 -19.781 22.807 -10.882 241 HB2 TYR 30 2HB TYR 30 -17.583 21.332 -9.477 242 HB3 TYR 30 3HB TYR 30 -17.201 22.351 -10.860 243 HD1 TYR 30 HD1 TYR 30 -19.556 22.751 -7.982 244 HD2 TYR 30 HD2 TYR 30 -16.237 24.317 -10.136 245 HE1 TYR 30 HE1 TYR 30 -19.544 24.726 -6.516 246 HE2 TYR 30 HE2 TYR 30 -16.215 26.296 -8.675 247 HH TYR 30 HH TYR 30 -18.767 26.938 -6.414 248 H LEU 31 H LEU 31 -20.110 22.499 -12.974 249 HA LEU 31 HA LEU 31 -19.478 19.928 -14.192 250 HB2 LEU 31 2HB LEU 31 -21.671 20.966 -14.587 251 HB3 LEU 31 3HB LEU 31 -20.870 22.344 -15.340 252 HG LEU 31 HG LEU 31 -20.231 21.068 -17.222 253 HD11 LEU 31 1HD1 LEU 31 -20.700 18.771 -15.417 254 HD12 LEU 31 2HD1 LEU 31 -19.437 19.034 -16.618 255 HD13 LEU 31 3HD1 LEU 31 -21.049 18.535 -17.130 256 HD21 LEU 31 3HD2 LEU 31 -22.340 21.462 -17.858 257 HD22 LEU 31 1HD2 LEU 31 -23.003 20.954 -16.304 258 HD23 LEU 31 2HD2 LEU 31 -22.607 19.749 -17.530 259 H VAL 32 H VAL 32 -17.374 19.760 -14.702 260 HA VAL 32 HA VAL 32 -16.103 22.004 -16.121 261 HB VAL 32 HB VAL 32 -15.017 21.217 -14.002 262 HG11 VAL 32 1HG1 VAL 32 -15.487 18.837 -14.222 263 HG12 VAL 32 2HG1 VAL 32 -14.443 18.751 -15.643 264 HG13 VAL 32 3HG1 VAL 32 -13.754 19.120 -14.061 265 HG21 VAL 32 3HG2 VAL 32 -13.496 21.036 -16.596 266 HG22 VAL 32 1HG2 VAL 32 -13.696 22.446 -15.555 267 HG23 VAL 32 2HG2 VAL 32 -12.721 21.080 -15.012 268 H LYS 33 H LYS 33 -14.998 21.651 -18.042 269 HA LYS 33 HA LYS 33 -15.924 19.370 -19.572 270 HB2 LYS 33 2HB LYS 33 -14.919 20.518 -21.490 271 HB3 LYS 33 3HB LYS 33 -15.975 21.596 -20.586 272 HG2 LYS 33 2HG LYS 33 -14.048 22.632 -19.531 273 HG3 LYS 33 3HG LYS 33 -12.970 21.523 -20.383 274 HD2 LYS 33 2HD LYS 33 -12.976 23.606 -21.562 275 HD3 LYS 33 3HD LYS 33 -13.861 22.428 -22.533 276 HE2 LYS 33 2HE LYS 33 -15.970 23.334 -21.772 277 HE3 LYS 33 3HE LYS 33 -15.135 24.442 -20.684 278 HZ1 LYS 33 3HZ LYS 33 -14.188 25.572 -22.564 279 HZ2 LYS 33 1HZ LYS 33 -15.868 25.505 -22.756 280 HZ3 LYS 33 2HZ LYS 33 -14.873 24.463 -23.642 281 H TRP 34 H TRP 34 -13.880 18.971 -21.362 282 HA TRP 34 HA TRP 34 -11.606 18.081 -19.727 283 HB2 TRP 34 2HB TRP 34 -12.674 16.338 -21.925 284 HB3 TRP 34 3HB TRP 34 -11.649 15.900 -20.562 285 HD1 TRP 34 HD1 TRP 34 -13.229 16.667 -18.088 286 HE1 TRP 34 HE1 TRP 34 -15.524 15.640 -17.538 287 HE3 TRP 34 HE3 TRP 34 -14.568 15.118 -22.772 288 HZ2 TRP 34 HZ2 TRP 34 -17.624 14.343 -18.909 289 HZ3 TRP 34 HZ3 TRP 34 -16.736 13.992 -23.067 290 HH2 TRP 34 HH2 TRP 34 -18.230 13.613 -21.174 291 H LYS 35 H LYS 35 -10.714 20.068 -20.704 292 HA LYS 35 HA LYS 35 -9.315 21.113 -22.161 293 HB2 LYS 35 2HB LYS 35 -8.202 18.831 -22.003 294 HB3 LYS 35 3HB LYS 35 -8.991 18.442 -23.525 295 HG2 LYS 35 2HG LYS 35 -7.703 20.932 -23.866 296 HG3 LYS 35 3HG LYS 35 -6.558 19.846 -23.076 297 HD2 LYS 35 2HD LYS 35 -8.141 19.057 -25.512 298 HD3 LYS 35 3HD LYS 35 -6.557 19.830 -25.610 299 HE2 LYS 35 2HE LYS 35 -5.459 17.993 -24.810 300 HE3 LYS 35 3HE LYS 35 -6.838 17.448 -23.857 301 HZ1 LYS 35 3HZ LYS 35 -7.803 16.439 -25.668 302 HZ2 LYS 35 1HZ LYS 35 -6.163 16.156 -25.970 303 HZ3 LYS 35 2HZ LYS 35 -6.974 17.389 -26.796 304 H ASN 36 H ASN 36 -12.119 21.046 -22.746 305 HA ASN 36 HA ASN 36 -13.538 21.742 -24.383 306 HB2 ASN 36 2HB ASN 36 -10.909 22.534 -25.315 307 HB3 ASN 36 3HB ASN 36 -11.970 22.143 -26.666 308 HD21 ASN 36 1HD2 ASN 36 -11.789 24.036 -23.693 309 HD22 ASN 36 2HD2 ASN 36 -12.803 25.323 -24.241 310 H TYR 37 H TYR 37 -12.431 18.905 -24.154 311 HA TYR 37 HA TYR 37 -12.533 17.779 -26.767 312 HB2 TYR 37 2HB TYR 37 -11.347 16.623 -25.000 313 HB3 TYR 37 3HB TYR 37 -12.816 16.509 -24.036 314 HD1 TYR 37 HD2 TYR 37 -14.646 14.992 -24.752 315 HD2 TYR 37 HD1 TYR 37 -10.888 15.064 -26.746 316 HE1 TYR 37 HE2 TYR 37 -15.156 12.817 -25.780 317 HE2 TYR 37 HE1 TYR 37 -11.388 12.889 -27.780 318 HH TYR 37 HH TYR 37 -12.806 10.946 -27.386 319 H SER 38 H SER 38 -14.895 18.367 -24.244 320 HA SER 38 HA SER 38 -17.048 17.977 -26.124 321 HB2 SER 38 2HB SER 38 -16.476 15.678 -25.109 322 HB3 SER 38 3HB SER 38 -17.156 16.316 -23.612 323 HG SER 38 HG SER 38 -18.435 15.857 -26.085 324 H SER 39 H SER 39 -16.931 20.304 -25.463 325 HA SER 39 HA SER 39 -17.520 21.215 -22.895 326 HB2 SER 39 2HB SER 39 -18.011 23.318 -23.888 327 HB3 SER 39 3HB SER 39 -16.785 22.583 -24.920 328 HG SER 39 HG SER 39 -18.160 22.599 -26.500 329 H LYS 40 H LYS 40 -19.492 19.564 -25.127 330 HA LYS 40 HA LYS 40 -21.998 20.551 -24.051 331 HB2 LYS 40 2HB LYS 40 -21.562 18.246 -25.953 332 HB3 LYS 40 3HB LYS 40 -23.064 19.113 -25.661 333 HG2 LYS 40 2HG LYS 40 -22.413 20.078 -27.619 334 HG3 LYS 40 3HG LYS 40 -21.650 21.176 -26.467 335 HD2 LYS 40 2HD LYS 40 -19.658 20.720 -27.340 336 HD3 LYS 40 3HD LYS 40 -19.869 19.011 -26.949 337 HE2 LYS 40 2HE LYS 40 -21.181 20.161 -29.376 338 HE3 LYS 40 3HE LYS 40 -19.467 19.749 -29.418 339 HZ1 LYS 40 3HZ LYS 40 -21.609 18.040 -29.777 340 HZ2 LYS 40 1HZ LYS 40 -20.957 17.637 -28.268 341 HZ3 LYS 40 2HZ LYS 40 -19.975 17.620 -29.645 342 H ASP 41 H ASP 41 -19.895 17.780 -23.724 343 HA ASP 41 HA ASP 41 -21.829 16.316 -22.127 344 HB2 ASP 41 2HB ASP 41 -18.987 15.709 -22.955 345 HB3 ASP 41 3HB ASP 41 -19.944 14.651 -21.922 346 H ASN 42 H ASN 42 -18.407 17.116 -21.530 347 HA ASN 42 HA ASN 42 -17.293 17.667 -19.624 348 HB2 ASN 42 2HB ASN 42 -19.887 19.067 -18.935 349 HB3 ASN 42 3HB ASN 42 -18.310 19.393 -18.222 350 HD21 ASN 42 1HD2 ASN 42 -19.982 21.268 -19.543 351 HD22 ASN 42 2HD2 ASN 42 -19.128 21.840 -20.931 352 H THR 43 H THR 43 -17.639 17.770 -17.063 353 HA THR 43 HA THR 43 -19.249 15.439 -16.267 354 HB THR 43 HB THR 43 -17.252 15.101 -14.562 355 HG1 THR 43 HG1 THR 43 -15.370 15.896 -15.221 356 HG21 THR 43 3HG2 THR 43 -16.282 13.957 -16.989 357 HG22 THR 43 1HG2 THR 43 -18.044 13.914 -17.009 358 HG23 THR 43 2HG2 THR 43 -17.160 13.175 -15.675 359 H TRP 44 H TRP 44 -20.339 15.636 -14.384 360 HA TRP 44 HA TRP 44 -20.200 18.225 -13.043 361 HB2 TRP 44 2HB TRP 44 -22.197 16.052 -12.450 362 HB3 TRP 44 3HB TRP 44 -22.359 17.789 -12.207 363 HD1 TRP 44 HD1 TRP 44 -23.086 19.263 -14.296 364 HE1 TRP 44 HE1 TRP 44 -24.104 18.655 -16.580 365 HE3 TRP 44 HE3 TRP 44 -22.154 14.236 -14.287 366 HZ2 TRP 44 HZ2 TRP 44 -24.465 16.349 -18.168 367 HZ3 TRP 44 HZ3 TRP 44 -22.868 12.901 -16.227 368 HH2 TRP 44 HH2 TRP 44 -24.000 13.938 -18.126 369 H GLU 45 H GLU 45 -18.661 18.292 -11.518 370 HA GLU 45 HA GLU 45 -18.501 16.041 -9.624 371 HB2 GLU 45 2HB GLU 45 -16.399 17.978 -10.579 372 HB3 GLU 45 3HB GLU 45 -16.186 17.005 -9.130 373 HG2 GLU 45 2HG GLU 45 -17.017 15.432 -11.426 374 HG3 GLU 45 3HG GLU 45 -15.497 16.284 -11.689 375 H THR 46 H THR 46 -19.104 16.416 -7.599 376 HA THR 46 HA THR 46 -20.368 18.620 -6.654 377 HB THR 46 HB THR 46 -19.161 17.811 -4.351 378 HG1 THR 46 HG1 THR 46 -19.146 15.385 -4.807 379 HG21 THR 46 3HG2 THR 46 -21.430 16.471 -5.826 380 HG22 THR 46 1HG2 THR 46 -21.552 17.834 -4.714 381 HG23 THR 46 2HG2 THR 46 -21.073 16.246 -4.114 382 H GLU 47 H GLU 47 -19.816 20.400 -5.323 383 HA GLU 47 HA GLU 47 -17.578 21.858 -6.141 384 HB2 GLU 47 2HB GLU 47 -19.368 23.118 -5.301 385 HB3 GLU 47 3HB GLU 47 -19.489 22.145 -3.842 386 HG2 GLU 47 2HG GLU 47 -17.421 23.090 -3.006 387 HG3 GLU 47 3HG GLU 47 -17.226 24.020 -4.491 388 H ASP 48 H ASP 48 -17.924 19.460 -3.696 389 HA ASP 48 HA ASP 48 -15.398 20.208 -2.423 390 HB2 ASP 48 2HB ASP 48 -17.795 18.885 -1.545 391 HB3 ASP 48 3HB ASP 48 -16.408 17.834 -1.273 392 H ASP 49 H ASP 49 -16.306 18.505 -5.048 393 HA ASP 49 HA ASP 49 -14.084 16.590 -4.752 394 HB2 ASP 49 2HB ASP 49 -16.685 16.257 -6.257 395 HB3 ASP 49 3HB ASP 49 -15.320 15.152 -6.396 396 H ILE 50 H ILE 50 -15.164 19.314 -6.322 397 HA ILE 50 HA ILE 50 -13.737 18.743 -8.813 398 HB ILE 50 HB ILE 50 -15.961 19.782 -8.991 399 HG12 ILE 50 2HG1 ILE 50 -14.699 22.065 -10.042 400 HG13 ILE 50 3HG1 ILE 50 -13.503 20.777 -10.138 401 HG21 ILE 50 1HG2 ILE 50 -16.616 21.581 -7.831 402 HG22 ILE 50 2HG2 ILE 50 -15.222 21.245 -6.806 403 HG23 ILE 50 3HG2 ILE 50 -15.095 22.429 -8.106 404 HD11 ILE 50 3HD1 ILE 50 -15.338 21.257 -12.029 405 HD12 ILE 50 1HD1 ILE 50 -14.638 19.667 -11.727 406 HD13 ILE 50 2HD1 ILE 50 -16.213 20.082 -11.049 407 H ARG 51 H ARG 51 -13.597 20.771 -5.956 408 HA ARG 51 HA ARG 51 -11.416 22.375 -6.918 409 HB2 ARG 51 2HB ARG 51 -11.652 23.594 -4.997 410 HB3 ARG 51 3HB ARG 51 -13.246 22.853 -5.055 411 HG2 ARG 51 2HG ARG 51 -10.934 21.728 -3.493 412 HG3 ARG 51 3HG ARG 51 -12.152 22.811 -2.817 413 HD2 ARG 51 2HD ARG 51 -13.883 21.230 -3.176 414 HD3 ARG 51 3HD ARG 51 -12.843 20.220 -4.180 415 HE ARG 51 HE ARG 51 -12.085 19.220 -2.280 416 HH11 ARG 51 1HH1 ARG 51 -13.431 22.318 -1.437 417 HH12 ARG 51 2HH1 ARG 51 -13.240 22.083 0.269 418 HH21 ARG 51 1HH2 ARG 51 -11.829 18.899 -0.036 419 HH22 ARG 51 2HH2 ARG 51 -12.328 20.138 1.064 420 H THR 52 H THR 52 -11.730 19.300 -5.479 421 HA THR 52 HA THR 52 -9.042 19.273 -4.374 422 HB THR 52 HB THR 52 -10.797 18.089 -3.151 423 HG1 THR 52 HG1 THR 52 -9.603 16.228 -2.821 424 HG21 THR 52 3HG2 THR 52 -10.987 15.865 -5.062 425 HG22 THR 52 1HG2 THR 52 -11.769 17.355 -5.587 426 HG23 THR 52 2HG2 THR 52 -12.233 16.608 -4.059 427 H LYS 53 H LYS 53 -10.752 18.198 -7.212 428 HA LYS 53 HA LYS 53 -8.379 16.746 -8.148 429 HB2 LYS 53 2HB LYS 53 -11.157 16.815 -9.339 430 HB3 LYS 53 3HB LYS 53 -9.832 15.776 -9.845 431 HG2 LYS 53 2HG LYS 53 -9.985 14.441 -7.958 432 HG3 LYS 53 3HG LYS 53 -10.848 15.674 -7.035 433 HD2 LYS 53 2HD LYS 53 -12.629 14.363 -7.530 434 HD3 LYS 53 3HD LYS 53 -12.607 15.301 -9.025 435 HE2 LYS 53 2HE LYS 53 -11.895 13.550 -10.267 436 HE3 LYS 53 3HE LYS 53 -10.877 12.913 -8.976 437 HZ1 LYS 53 3HZ LYS 53 -13.688 12.734 -8.407 438 HZ2 LYS 53 1HZ LYS 53 -12.485 11.549 -8.295 439 HZ3 LYS 53 2HZ LYS 53 -13.234 11.856 -9.780 440 H TYR 54 H TYR 54 -10.444 19.484 -8.838 441 HA TYR 54 HA TYR 54 -8.539 20.315 -10.923 442 HB2 TYR 54 2HB TYR 54 -11.475 20.972 -11.056 443 HB3 TYR 54 3HB TYR 54 -10.267 21.101 -12.329 444 HD1 TYR 54 HD1 TYR 54 -9.178 18.854 -13.094 445 HD2 TYR 54 HD2 TYR 54 -12.868 19.118 -10.992 446 HE1 TYR 54 HE1 TYR 54 -9.799 16.620 -13.914 447 HE2 TYR 54 HE2 TYR 54 -13.499 16.884 -11.806 448 HH TYR 54 HH TYR 54 -11.261 14.802 -13.380 449 H GLY 55 H GLY 55 -8.603 20.980 -8.103 450 HA2 GLY 55 2HA GLY 55 -9.788 23.391 -7.455 451 HA3 GLY 55 3HA GLY 55 -8.245 22.847 -6.812 452 H ASP 56 H ASP 56 -7.217 22.815 -9.680 453 HA ASP 56 HA ASP 56 -5.929 25.303 -9.630 454 HB2 ASP 56 2HB ASP 56 -5.425 23.043 -10.933 455 HB3 ASP 56 3HB ASP 56 -6.267 23.885 -12.231 456 H LEU 57 H LEU 57 -8.541 24.162 -11.771 457 HA LEU 57 HA LEU 57 -8.959 26.828 -12.806 458 HB2 LEU 57 2HB LEU 57 -11.020 25.515 -13.823 459 HB3 LEU 57 3HB LEU 57 -9.394 25.375 -14.489 460 HG LEU 57 HG LEU 57 -10.185 23.406 -12.416 461 HD11 LEU 57 1HD1 LEU 57 -12.040 22.784 -13.476 462 HD12 LEU 57 2HD1 LEU 57 -10.990 22.214 -14.773 463 HD13 LEU 57 3HD1 LEU 57 -11.697 23.828 -14.855 464 HD21 LEU 57 3HD2 LEU 57 -8.815 21.941 -13.743 465 HD22 LEU 57 1HD2 LEU 57 -7.951 23.457 -13.489 466 HD23 LEU 57 2HD2 LEU 57 -8.725 23.133 -15.040 467 H VAL 58 H VAL 58 -10.425 24.684 -10.467 468 HA VAL 58 HA VAL 58 -12.922 25.836 -10.146 469 HB VAL 58 HB VAL 58 -11.132 24.662 -8.015 470 HG11 VAL 58 1HG1 VAL 58 -12.679 25.673 -6.689 471 HG12 VAL 58 2HG1 VAL 58 -13.913 25.691 -7.950 472 HG13 VAL 58 3HG1 VAL 58 -13.572 24.201 -7.069 473 HG21 VAL 58 3HG2 VAL 58 -11.617 22.675 -8.883 474 HG22 VAL 58 1HG2 VAL 58 -13.343 23.017 -8.767 475 HG23 VAL 58 2HG2 VAL 58 -12.448 23.480 -10.214 476 H ASP 59 H ASP 59 -9.825 26.794 -8.725 477 HA ASP 59 HA ASP 59 -10.999 28.963 -7.235 478 HB2 ASP 59 2HB ASP 59 -8.167 28.056 -7.720 479 HB3 ASP 59 3HB ASP 59 -8.528 29.554 -6.866 480 H ASP 60 H ASP 60 -10.608 28.591 -10.408 481 HA ASP 60 HA ASP 60 -9.794 31.384 -10.873 482 HB2 ASP 60 2HB ASP 60 -8.445 29.539 -11.970 483 HB3 ASP 60 3HB ASP 60 -9.875 29.177 -12.934 484 H PHE 61 H PHE 61 -12.379 29.156 -11.031 485 HA PHE 61 HA PHE 61 -13.920 30.873 -12.838 486 HB2 PHE 61 2HB PHE 61 -14.010 28.542 -13.425 487 HB3 PHE 61 3HB PHE 61 -14.431 28.091 -11.776 488 HD1 PHE 61 HD2 PHE 61 -15.658 29.793 -14.812 489 HD2 PHE 61 HD1 PHE 61 -16.667 28.108 -11.036 490 HE1 PHE 61 HE2 PHE 61 -18.046 29.947 -15.386 491 HE2 PHE 61 HE1 PHE 61 -19.057 28.258 -11.604 492 HZ PHE 61 HZ PHE 61 -19.749 29.179 -13.780 493 H GLU 62 H GLU 62 -14.630 29.042 -9.858 494 HA GLU 62 HA GLU 62 -16.857 30.543 -9.107 495 HB2 GLU 62 2HB GLU 62 -16.772 29.424 -7.045 496 HB3 GLU 62 3HB GLU 62 -16.044 28.298 -8.183 497 HG2 GLU 62 2HG GLU 62 -13.815 29.413 -7.415 498 HG3 GLU 62 3HG GLU 62 -14.769 29.889 -6.012 499 H LYS 63 H LYS 63 -13.437 31.024 -8.435 500 HA LYS 63 HA LYS 63 -13.740 33.079 -6.517 501 HB2 LYS 63 2HB LYS 63 -11.456 32.405 -8.376 502 HB3 LYS 63 3HB LYS 63 -11.358 33.625 -7.113 503 HG2 LYS 63 2HG LYS 63 -11.864 30.684 -6.713 504 HG3 LYS 63 3HG LYS 63 -10.364 31.549 -6.371 505 HD2 LYS 63 2HD LYS 63 -12.275 32.988 -4.988 506 HD3 LYS 63 3HD LYS 63 -12.787 31.312 -4.778 507 HE2 LYS 63 2HE LYS 63 -10.475 30.762 -4.048 508 HE3 LYS 63 3HE LYS 63 -10.080 32.478 -4.135 509 HZ1 LYS 63 3HZ LYS 63 -10.613 31.956 -1.894 510 HZ2 LYS 63 1HZ LYS 63 -12.051 31.182 -2.336 511 HZ3 LYS 63 2HZ LYS 63 -11.904 32.858 -2.511 512 H ASN 64 H ASN 64 -14.345 33.029 -9.831 513 HA ASN 64 HA ASN 64 -13.929 35.918 -10.122 514 HB2 ASN 64 2HB ASN 64 -14.359 33.690 -12.103 515 HB3 ASN 64 3HB ASN 64 -14.542 35.380 -12.567 516 HD21 ASN 64 1HD2 ASN 64 -12.236 33.778 -10.411 517 HD22 ASN 64 2HD2 ASN 64 -10.822 34.286 -11.263 518 H GLN 65 H GLN 65 -16.404 33.445 -10.080 519 HA GLN 65 HA GLN 65 -18.504 35.279 -10.848 520 HB2 GLN 65 2HB GLN 65 -18.842 32.506 -9.712 521 HB3 GLN 65 3HB GLN 65 -19.983 33.415 -10.694 522 HG2 GLN 65 2HG GLN 65 -17.740 33.275 -12.287 523 HG3 GLN 65 3HG GLN 65 -17.787 31.700 -11.495 524 HE21 GLN 65 1HE2 GLN 65 -18.503 32.973 -14.260 525 HE22 GLN 65 2HE2 GLN 65 -19.984 32.178 -14.659 526 H LYS 66 H LYS 66 -17.172 33.918 -7.919 527 HA LYS 66 HA LYS 66 -19.269 34.525 -6.154 528 HB2 LYS 66 2HB LYS 66 -16.309 34.152 -5.796 529 HB3 LYS 66 3HB LYS 66 -17.328 34.611 -4.438 530 HG2 LYS 66 2HG LYS 66 -17.605 32.126 -6.118 531 HG3 LYS 66 3HG LYS 66 -16.982 32.219 -4.469 532 HD2 LYS 66 2HD LYS 66 -19.232 33.211 -3.833 533 HD3 LYS 66 3HD LYS 66 -19.791 32.710 -5.431 534 HE2 LYS 66 2HE LYS 66 -20.236 30.713 -4.561 535 HE3 LYS 66 3HE LYS 66 -18.500 30.474 -4.372 536 HZ1 LYS 66 3HZ LYS 66 -19.364 30.125 -2.259 537 HZ2 LYS 66 1HZ LYS 66 -20.456 31.413 -2.369 538 HZ3 LYS 66 2HZ LYS 66 -18.803 31.719 -2.184 539 H LYS 67 H LYS 67 -17.112 36.556 -7.822 540 HA LYS 67 HA LYS 67 -17.992 38.839 -6.190 541 HB2 LYS 67 2HB LYS 67 -15.289 37.931 -6.654 542 HB3 LYS 67 3HB LYS 67 -15.513 39.553 -7.297 543 HG2 LYS 67 2HG LYS 67 -16.702 39.361 -4.696 544 HG3 LYS 67 3HG LYS 67 -15.027 38.808 -4.643 545 HD2 LYS 67 2HD LYS 67 -14.278 40.876 -5.656 546 HD3 LYS 67 3HD LYS 67 -15.947 41.421 -5.842 547 HE2 LYS 67 2HE LYS 67 -16.229 41.695 -3.530 548 HE3 LYS 67 3HE LYS 67 -14.807 40.723 -3.153 549 HZ1 LYS 67 3HZ LYS 67 -13.715 42.686 -4.584 550 HZ2 LYS 67 1HZ LYS 67 -13.863 42.729 -2.900 551 HZ3 LYS 67 2HZ LYS 67 -14.997 43.526 -3.868 Start of MODEL 2 1 H1 MET 1 H MET 1 1.622 -8.251 -19.123 2 HA MET 1 HA MET 1 4.307 -8.677 -18.600 3 HB2 MET 1 2HB MET 1 3.357 -10.423 -20.628 4 HB3 MET 1 3HB MET 1 4.384 -9.225 -21.405 5 HG2 MET 1 2HG MET 1 5.958 -10.760 -20.871 6 HG3 MET 1 3HG MET 1 5.982 -9.809 -19.388 7 HE1 MET 1 3HE MET 1 5.241 -10.679 -17.052 8 HE2 MET 1 1HE MET 1 5.621 -12.383 -16.803 9 HE3 MET 1 2HE MET 1 6.779 -11.333 -17.619 10 H HIS 2 H HIS 2 1.982 -7.527 -20.988 11 HA HIS 2 HA HIS 2 3.663 -5.154 -21.433 12 HB2 HIS 2 2HB HIS 2 1.847 -6.714 -23.155 13 HB3 HIS 2 3HB HIS 2 1.714 -4.966 -23.325 14 HD1 HIS 2 HD1 HIS 2 4.327 -7.703 -23.545 15 HD2 HIS 2 HD2 HIS 2 3.649 -3.823 -24.869 16 HE1 HIS 2 HE1 HIS 2 6.199 -7.202 -25.148 17 H HIS 3 H HIS 3 2.916 -3.143 -20.979 18 HA HIS 3 HA HIS 3 0.142 -2.612 -20.465 19 HB2 HIS 3 2HB HIS 3 2.046 -3.060 -18.227 20 HB3 HIS 3 3HB HIS 3 0.935 -1.702 -18.072 21 HD1 HIS 3 HD1 HIS 3 -1.584 -2.973 -19.315 22 HD2 HIS 3 HD2 HIS 3 0.878 -4.866 -16.556 23 HE1 HIS 3 HE1 HIS 3 -3.019 -4.729 -18.227 24 H HIS 4 H HIS 4 -0.266 -0.576 -21.034 25 HA HIS 4 HA HIS 4 1.582 1.563 -20.491 26 HB2 HIS 4 2HB HIS 4 1.303 0.404 -23.221 27 HB3 HIS 4 3HB HIS 4 1.406 2.157 -23.084 28 HD1 HIS 4 HD1 HIS 4 3.520 2.523 -20.969 29 HD2 HIS 4 HD2 HIS 4 3.793 -0.351 -23.958 30 HE1 HIS 4 HE1 HIS 4 5.971 2.002 -21.179 31 H HIS 5 H HIS 5 0.302 3.129 -19.792 32 HA HIS 5 HA HIS 5 -1.963 3.992 -21.367 33 HB2 HIS 5 2HB HIS 5 -2.270 2.507 -18.822 34 HB3 HIS 5 3HB HIS 5 -3.262 3.951 -19.000 35 HD1 HIS 5 HD1 HIS 5 -4.445 3.922 -21.618 36 HD2 HIS 5 HD2 HIS 5 -3.627 0.345 -19.669 37 HE1 HIS 5 HE1 HIS 5 -5.929 2.209 -22.707 38 H HIS 6 H HIS 6 -2.157 6.142 -21.273 39 HA HIS 6 HA HIS 6 -0.321 7.694 -19.777 40 HB2 HIS 6 2HB HIS 6 -2.740 8.413 -21.427 41 HB3 HIS 6 3HB HIS 6 -1.758 9.630 -20.618 42 HD1 HIS 6 HD1 HIS 6 0.076 6.751 -22.033 43 HD2 HIS 6 HD2 HIS 6 -1.046 10.572 -23.218 44 HE1 HIS 6 HE1 HIS 6 1.459 7.256 -24.072 45 H HIS 7 H HIS 7 -1.259 9.711 -18.547 46 HA HIS 7 HA HIS 7 -3.628 9.476 -17.061 47 HB2 HIS 7 2HB HIS 7 -1.506 7.816 -16.118 48 HB3 HIS 7 3HB HIS 7 -1.756 9.108 -14.948 49 HD1 HIS 7 HD1 HIS 7 -3.145 5.926 -16.096 50 HD2 HIS 7 HD2 HIS 7 -4.467 9.204 -13.912 51 HE1 HIS 7 HE1 HIS 7 -5.229 5.154 -14.920 52 H GLU 8 H GLU 8 -0.288 10.607 -17.094 53 HA GLU 8 HA GLU 8 0.629 12.653 -16.706 54 HB2 GLU 8 2HB GLU 8 -2.165 13.781 -16.659 55 HB3 GLU 8 3HB GLU 8 -0.672 14.606 -17.083 56 HG2 GLU 8 2HG GLU 8 -0.486 13.328 -19.113 57 HG3 GLU 8 3HG GLU 8 -1.892 12.361 -18.672 58 H VAL 9 H VAL 9 1.017 14.185 -15.017 59 HA VAL 9 HA VAL 9 1.312 14.675 -12.807 60 HB VAL 9 HB VAL 9 -1.686 14.306 -12.730 61 HG11 VAL 9 1HG1 VAL 9 0.134 14.803 -10.654 62 HG12 VAL 9 2HG1 VAL 9 -0.654 16.345 -10.995 63 HG13 VAL 9 3HG1 VAL 9 -1.624 14.926 -10.598 64 HG21 VAL 9 3HG2 VAL 9 -0.011 16.287 -14.005 65 HG22 VAL 9 1HG2 VAL 9 -1.756 16.053 -14.108 66 HG23 VAL 9 2HG2 VAL 9 -1.072 17.019 -12.801 67 HA PRO 10 HA PRO 10 1.049 10.171 -11.594 68 HB2 PRO 10 2HB PRO 10 3.720 9.849 -11.233 69 HB3 PRO 10 3HB PRO 10 2.927 9.615 -12.795 70 HG2 PRO 10 2HG PRO 10 4.441 11.988 -11.777 71 HG3 PRO 10 3HG PRO 10 4.500 11.226 -13.377 72 HD2 PRO 10 2HD PRO 10 3.086 13.484 -12.889 73 HD3 PRO 10 3HD PRO 10 2.575 12.277 -14.086 74 H GLN 11 H GLN 11 0.169 11.951 -9.866 75 HA GLN 11 HA GLN 11 1.673 11.353 -7.439 76 HB2 GLN 11 2HB GLN 11 0.919 14.128 -8.343 77 HB3 GLN 11 3HB GLN 11 1.272 13.744 -6.663 78 HG2 GLN 11 2HG GLN 11 3.401 14.142 -7.101 79 HG3 GLN 11 3HG GLN 11 3.407 12.689 -8.098 80 HE21 GLN 11 1HE2 GLN 11 1.813 13.528 -10.194 81 HE22 GLN 11 2HE2 GLN 11 2.633 14.774 -11.065 82 H THR 12 H THR 12 -1.259 12.658 -8.910 83 HA THR 12 HA THR 12 -2.910 11.171 -7.095 84 HB THR 12 HB THR 12 -3.353 14.142 -7.006 85 HG1 THR 12 HG1 THR 12 -2.118 14.224 -5.133 86 HG21 THR 12 3HG2 THR 12 -4.907 12.074 -6.203 87 HG22 THR 12 1HG2 THR 12 -4.942 13.676 -5.469 88 HG23 THR 12 2HG2 THR 12 -3.993 12.387 -4.728 89 H PHE 13 H PHE 13 -3.321 14.188 -8.952 90 HA PHE 13 HA PHE 13 -4.564 12.991 -11.173 91 HB2 PHE 13 2HB PHE 13 -6.870 13.384 -10.818 92 HB3 PHE 13 3HB PHE 13 -6.304 12.598 -9.347 93 HD1 PHE 13 HD2 PHE 13 -5.518 14.258 -7.455 94 HD2 PHE 13 HD1 PHE 13 -8.174 15.261 -10.626 95 HE1 PHE 13 HE2 PHE 13 -6.405 16.123 -6.117 96 HE2 PHE 13 HE1 PHE 13 -9.066 17.127 -9.294 97 HZ PHE 13 HZ PHE 13 -8.182 17.560 -7.036 98 H GLU 14 H GLU 14 -6.165 14.859 -12.180 99 HA GLU 14 HA GLU 14 -5.412 17.542 -11.699 100 HB2 GLU 14 2HB GLU 14 -3.477 16.119 -13.096 101 HB3 GLU 14 3HB GLU 14 -4.365 16.968 -14.353 102 HG2 GLU 14 2HG GLU 14 -4.051 19.002 -12.696 103 HG3 GLU 14 3HG GLU 14 -2.672 18.038 -12.169 104 H VAL 15 H VAL 15 -7.104 18.686 -12.341 105 HA VAL 15 HA VAL 15 -8.793 17.617 -14.498 106 HB VAL 15 HB VAL 15 -9.550 19.713 -12.462 107 HG11 VAL 15 1HG1 VAL 15 -10.895 18.420 -14.736 108 HG12 VAL 15 2HG1 VAL 15 -11.848 18.528 -13.255 109 HG13 VAL 15 3HG1 VAL 15 -11.184 19.989 -13.987 110 HG21 VAL 15 3HG2 VAL 15 -9.625 18.074 -10.955 111 HG22 VAL 15 1HG2 VAL 15 -10.947 17.380 -11.894 112 HG23 VAL 15 2HG2 VAL 15 -9.290 16.846 -12.175 113 H GLU 16 H GLU 16 -9.388 18.869 -16.233 114 HA GLU 16 HA GLU 16 -7.600 20.831 -17.126 115 HB2 GLU 16 2HB GLU 16 -9.928 19.488 -18.130 116 HB3 GLU 16 3HB GLU 16 -10.054 21.205 -18.484 117 HG2 GLU 16 2HG GLU 16 -7.463 19.902 -19.058 118 HG3 GLU 16 3HG GLU 16 -8.827 19.481 -20.093 119 H ARG 17 H ARG 17 -11.067 21.366 -16.483 120 HA ARG 17 HA ARG 17 -10.696 23.545 -14.738 121 HB2 ARG 17 2HB ARG 17 -10.866 25.422 -16.049 122 HB3 ARG 17 3HB ARG 17 -9.942 24.381 -17.123 123 HG2 ARG 17 2HG ARG 17 -12.911 24.869 -17.230 124 HG3 ARG 17 3HG ARG 17 -11.698 25.507 -18.342 125 HD2 ARG 17 2HD ARG 17 -11.176 22.848 -18.467 126 HD3 ARG 17 3HD ARG 17 -12.918 22.837 -18.196 127 HE ARG 17 HE ARG 17 -11.587 23.527 -20.598 128 HH11 ARG 17 1HH1 ARG 17 -14.321 24.394 -18.625 129 HH12 ARG 17 2HH1 ARG 17 -15.252 25.003 -19.953 130 HH21 ARG 17 1HH2 ARG 17 -12.803 24.326 -22.355 131 HH22 ARG 17 2HH2 ARG 17 -14.388 24.963 -22.074 132 H ILE 18 H ILE 18 -12.763 24.763 -14.383 133 HA ILE 18 HA ILE 18 -14.919 22.929 -14.169 134 HB ILE 18 HB ILE 18 -15.003 25.925 -13.800 135 HG12 ILE 18 2HG1 ILE 18 -13.279 24.523 -12.449 136 HG13 ILE 18 3HG1 ILE 18 -14.317 25.655 -11.588 137 HG21 ILE 18 1HG2 ILE 18 -17.210 25.365 -13.762 138 HG22 ILE 18 2HG2 ILE 18 -16.895 23.707 -13.251 139 HG23 ILE 18 3HG2 ILE 18 -16.807 25.022 -12.080 140 HD11 ILE 18 3HD1 ILE 18 -13.956 23.265 -10.661 141 HD12 ILE 18 1HD1 ILE 18 -15.567 23.981 -10.628 142 HD13 ILE 18 2HD1 ILE 18 -15.149 22.807 -11.877 143 H VAL 19 H VAL 19 -16.093 22.288 -15.850 144 HA VAL 19 HA VAL 19 -16.314 23.612 -18.305 145 HB VAL 19 HB VAL 19 -18.381 21.702 -17.226 146 HG11 VAL 19 1HG1 VAL 19 -17.517 21.452 -19.994 147 HG12 VAL 19 2HG1 VAL 19 -19.144 21.573 -19.321 148 HG13 VAL 19 3HG1 VAL 19 -18.205 23.035 -19.628 149 HG21 VAL 19 3HG2 VAL 19 -15.553 21.255 -17.727 150 HG22 VAL 19 1HG2 VAL 19 -16.740 20.218 -16.935 151 HG23 VAL 19 2HG2 VAL 19 -16.585 20.200 -18.692 152 H ARG 20 H ARG 20 -18.688 23.373 -15.656 153 HA ARG 20 HA ARG 20 -19.599 26.043 -16.053 154 HB2 ARG 20 2HB ARG 20 -21.888 25.532 -16.759 155 HB3 ARG 20 3HB ARG 20 -20.720 25.010 -17.966 156 HG2 ARG 20 2HG ARG 20 -21.407 22.943 -16.019 157 HG3 ARG 20 3HG ARG 20 -22.770 23.502 -16.992 158 HD2 ARG 20 2HD ARG 20 -20.268 22.997 -18.463 159 HD3 ARG 20 3HD ARG 20 -21.042 21.575 -17.766 160 HE ARG 20 HE ARG 20 -21.897 23.006 -20.048 161 HH11 ARG 20 1HH1 ARG 20 -23.124 21.371 -17.230 162 HH12 ARG 20 2HH1 ARG 20 -24.636 20.958 -17.967 163 HH21 ARG 20 1HH2 ARG 20 -23.884 22.469 -21.030 164 HH22 ARG 20 2HH2 ARG 20 -25.068 21.582 -20.129 165 H LYS 21 H LYS 21 -22.025 26.043 -14.895 166 HA LYS 21 HA LYS 21 -22.050 24.335 -12.561 167 HB2 LYS 21 2HB LYS 21 -21.853 26.079 -10.922 168 HB3 LYS 21 3HB LYS 21 -20.449 26.162 -11.977 169 HG2 LYS 21 2HG LYS 21 -21.255 28.083 -13.072 170 HG3 LYS 21 3HG LYS 21 -22.872 27.887 -12.390 171 HD2 LYS 21 2HD LYS 21 -21.338 28.041 -10.141 172 HD3 LYS 21 3HD LYS 21 -20.471 29.119 -11.237 173 HE2 LYS 21 2HE LYS 21 -23.362 29.277 -10.404 174 HE3 LYS 21 3HE LYS 21 -22.073 30.422 -10.034 175 HZ1 LYS 21 3HZ LYS 21 -21.914 30.657 -12.571 176 HZ2 LYS 21 1HZ LYS 21 -23.196 31.419 -11.773 177 HZ3 LYS 21 2HZ LYS 21 -23.457 29.965 -12.597 178 H LYS 22 H LYS 22 -23.977 24.648 -11.242 179 HA LYS 22 HA LYS 22 -26.052 26.419 -12.003 180 HB2 LYS 22 2HB LYS 22 -27.574 24.972 -13.108 181 HB3 LYS 22 3HB LYS 22 -26.034 24.786 -13.938 182 HG2 LYS 22 2HG LYS 22 -26.278 22.599 -13.682 183 HG3 LYS 22 3HG LYS 22 -25.981 22.844 -11.959 184 HD2 LYS 22 2HD LYS 22 -28.018 22.008 -11.607 185 HD3 LYS 22 3HD LYS 22 -28.656 23.505 -12.291 186 HE2 LYS 22 2HE LYS 22 -28.358 22.338 -14.566 187 HE3 LYS 22 3HE LYS 22 -28.224 20.853 -13.626 188 HZ1 LYS 22 3HZ LYS 22 -30.531 22.722 -13.661 189 HZ2 LYS 22 1HZ LYS 22 -30.399 21.384 -12.634 190 HZ3 LYS 22 2HZ LYS 22 -30.485 21.159 -14.308 191 H ILE 23 H ILE 23 -27.758 26.391 -10.555 192 HA ILE 23 HA ILE 23 -27.422 24.553 -8.281 193 HB ILE 23 HB ILE 23 -28.218 26.186 -6.829 194 HG12 ILE 23 2HG1 ILE 23 -29.110 28.418 -8.060 195 HG13 ILE 23 3HG1 ILE 23 -29.597 27.211 -9.245 196 HG21 ILE 23 1HG2 ILE 23 -26.629 27.799 -6.993 197 HG22 ILE 23 2HG2 ILE 23 -26.032 26.720 -8.251 198 HG23 ILE 23 3HG2 ILE 23 -26.987 28.137 -8.686 199 HD11 ILE 23 3HD1 ILE 23 -30.313 26.313 -6.632 200 HD12 ILE 23 1HD1 ILE 23 -30.915 27.952 -6.883 201 HD13 ILE 23 2HD1 ILE 23 -31.348 26.670 -8.015 202 H VAL 24 H VAL 24 -29.258 23.634 -7.296 203 HA VAL 24 HA VAL 24 -31.781 23.831 -8.783 204 HB VAL 24 HB VAL 24 -31.103 21.124 -7.821 205 HG11 VAL 24 1HG1 VAL 24 -32.026 21.627 -10.573 206 HG12 VAL 24 2HG1 VAL 24 -32.619 20.486 -9.365 207 HG13 VAL 24 3HG1 VAL 24 -33.101 22.181 -9.291 208 HG21 VAL 24 3HG2 VAL 24 -29.717 22.347 -10.204 209 HG22 VAL 24 1HG2 VAL 24 -28.960 21.695 -8.750 210 HG23 VAL 24 2HG2 VAL 24 -29.793 20.617 -9.870 211 H HIS 25 H HIS 25 -33.417 24.217 -7.453 212 HA HIS 25 HA HIS 25 -34.659 24.443 -5.559 213 HB2 HIS 25 2HB HIS 25 -34.275 21.817 -5.863 214 HB3 HIS 25 3HB HIS 25 -33.437 22.023 -4.327 215 HD1 HIS 25 HD1 HIS 25 -34.865 22.566 -2.261 216 HD2 HIS 25 HD2 HIS 25 -37.061 22.181 -5.766 217 HE1 HIS 25 HE1 HIS 25 -37.270 22.441 -1.537 218 H GLY 26 H GLY 26 -31.838 25.469 -5.652 219 HA2 GLY 26 2HA GLY 26 -30.879 26.965 -4.094 220 HA3 GLY 26 3HA GLY 26 -31.659 26.075 -2.795 221 H ASN 27 H ASN 27 -30.113 24.117 -5.114 222 HA ASN 27 HA ASN 27 -27.809 23.782 -3.306 223 HB2 ASN 27 2HB ASN 27 -29.167 21.690 -5.022 224 HB3 ASN 27 3HB ASN 27 -27.751 21.419 -4.011 225 HD21 ASN 27 1HD2 ASN 27 -30.724 20.557 -4.087 226 HD22 ASN 27 2HD2 ASN 27 -31.200 20.684 -2.431 227 H THR 28 H THR 28 -26.152 24.809 -4.241 228 HA THR 28 HA THR 28 -25.838 25.158 -7.032 229 HB THR 28 HB THR 28 -23.507 25.297 -5.152 230 HG1 THR 28 HG1 THR 28 -25.744 27.051 -5.251 231 HG21 THR 28 3HG2 THR 28 -22.765 27.034 -6.563 232 HG22 THR 28 1HG2 THR 28 -24.358 27.237 -7.289 233 HG23 THR 28 2HG2 THR 28 -23.401 25.801 -7.651 234 H SER 29 H SER 29 -24.485 24.155 -8.500 235 HA SER 29 HA SER 29 -22.986 21.801 -7.634 236 HB2 SER 29 2HB SER 29 -25.072 21.718 -9.828 237 HB3 SER 29 3HB SER 29 -23.979 20.401 -9.402 238 HG SER 29 HG SER 29 -25.015 20.159 -7.477 239 H TYR 30 H TYR 30 -21.059 21.731 -8.580 240 HA TYR 30 HA TYR 30 -20.609 23.422 -10.941 241 HB2 TYR 30 2HB TYR 30 -18.848 22.520 -8.688 242 HB3 TYR 30 3HB TYR 30 -18.130 22.993 -10.223 243 HD1 TYR 30 HD2 TYR 30 -20.954 24.379 -8.201 244 HD2 TYR 30 HD1 TYR 30 -17.178 25.084 -10.029 245 HE1 TYR 30 HE2 TYR 30 -21.074 26.741 -7.524 246 HE2 TYR 30 HE1 TYR 30 -17.286 27.448 -9.356 247 HH TYR 30 HH TYR 30 -20.128 28.902 -8.208 248 H LEU 31 H LEU 31 -20.526 22.401 -12.819 249 HA LEU 31 HA LEU 31 -19.888 19.557 -12.907 250 HB2 LEU 31 2HB LEU 31 -21.873 20.386 -14.088 251 HB3 LEU 31 3HB LEU 31 -20.843 21.419 -15.078 252 HG LEU 31 HG LEU 31 -19.950 19.581 -16.249 253 HD11 LEU 31 1HD1 LEU 31 -19.397 17.898 -14.833 254 HD12 LEU 31 2HD1 LEU 31 -20.898 17.223 -15.467 255 HD13 LEU 31 3HD1 LEU 31 -20.889 18.037 -13.903 256 HD21 LEU 31 3HD2 LEU 31 -21.872 19.690 -17.386 257 HD22 LEU 31 1HD2 LEU 31 -22.844 19.763 -15.917 258 HD23 LEU 31 2HD2 LEU 31 -22.301 18.204 -16.539 259 H VAL 32 H VAL 32 -17.752 19.187 -12.895 260 HA VAL 32 HA VAL 32 -16.052 20.782 -14.696 261 HB VAL 32 HB VAL 32 -15.451 20.801 -12.269 262 HG11 VAL 32 1HG1 VAL 32 -14.377 18.793 -11.332 263 HG12 VAL 32 2HG1 VAL 32 -16.085 18.532 -11.693 264 HG13 VAL 32 3HG1 VAL 32 -14.846 17.889 -12.772 265 HG21 VAL 32 3HG2 VAL 32 -13.479 19.627 -14.223 266 HG22 VAL 32 1HG2 VAL 32 -13.760 21.333 -13.876 267 HG23 VAL 32 2HG2 VAL 32 -13.035 20.292 -12.651 268 H LYS 33 H LYS 33 -14.621 19.760 -16.094 269 HA LYS 33 HA LYS 33 -15.385 17.048 -16.833 270 HB2 LYS 33 2HB LYS 33 -14.044 17.468 -18.863 271 HB3 LYS 33 3HB LYS 33 -15.281 18.693 -18.615 272 HG2 LYS 33 2HG LYS 33 -13.258 19.907 -17.380 273 HG3 LYS 33 3HG LYS 33 -12.335 18.919 -18.515 274 HD2 LYS 33 2HD LYS 33 -14.414 19.988 -20.029 275 HD3 LYS 33 3HD LYS 33 -13.889 21.313 -18.988 276 HE2 LYS 33 2HE LYS 33 -11.660 21.171 -19.785 277 HE3 LYS 33 3HE LYS 33 -11.973 19.633 -20.589 278 HZ1 LYS 33 3HZ LYS 33 -12.875 20.647 -22.359 279 HZ2 LYS 33 1HZ LYS 33 -12.007 21.997 -21.825 280 HZ3 LYS 33 2HZ LYS 33 -13.646 21.840 -21.440 281 H TRP 34 H TRP 34 -13.115 16.096 -18.024 282 HA TRP 34 HA TRP 34 -11.086 16.025 -15.903 283 HB2 TRP 34 2HB TRP 34 -11.765 13.468 -17.282 284 HB3 TRP 34 3HB TRP 34 -11.122 13.736 -15.664 285 HD1 TRP 34 HD1 TRP 34 -13.138 15.150 -14.049 286 HE1 TRP 34 HE1 TRP 34 -15.569 14.366 -13.733 287 HE3 TRP 34 HE3 TRP 34 -13.568 12.158 -18.172 288 HZ2 TRP 34 HZ2 TRP 34 -17.424 12.700 -15.057 289 HZ3 TRP 34 HZ3 TRP 34 -15.704 11.005 -18.575 290 HH2 TRP 34 HH2 TRP 34 -17.590 11.271 -17.048 291 H LYS 35 H LYS 35 -9.756 17.297 -17.231 292 HA LYS 35 HA LYS 35 -8.195 17.728 -18.831 293 HB2 LYS 35 2HB LYS 35 -7.372 15.541 -17.752 294 HB3 LYS 35 3HB LYS 35 -7.960 14.751 -19.209 295 HG2 LYS 35 2HG LYS 35 -5.675 15.116 -19.572 296 HG3 LYS 35 3HG LYS 35 -6.500 16.367 -20.505 297 HD2 LYS 35 2HD LYS 35 -6.160 17.892 -18.517 298 HD3 LYS 35 3HD LYS 35 -5.095 16.650 -17.856 299 HE2 LYS 35 2HE LYS 35 -4.186 16.952 -20.438 300 HE3 LYS 35 3HE LYS 35 -4.620 18.596 -19.973 301 HZ1 LYS 35 3HZ LYS 35 -3.102 17.055 -18.026 302 HZ2 LYS 35 1HZ LYS 35 -2.986 18.691 -18.441 303 HZ3 LYS 35 2HZ LYS 35 -2.270 17.516 -19.425 304 H ASN 36 H ASN 36 -10.940 17.568 -19.690 305 HA ASN 36 HA ASN 36 -12.150 17.662 -21.612 306 HB2 ASN 36 2HB ASN 36 -9.361 17.980 -22.499 307 HB3 ASN 36 3HB ASN 36 -10.464 17.416 -23.750 308 HD21 ASN 36 1HD2 ASN 36 -9.320 20.072 -22.026 309 HD22 ASN 36 2HD2 ASN 36 -10.447 21.248 -22.602 310 H TYR 37 H TYR 37 -11.085 15.041 -20.387 311 HA TYR 37 HA TYR 37 -10.891 13.136 -22.459 312 HB2 TYR 37 2HB TYR 37 -10.095 12.575 -20.262 313 HB3 TYR 37 3HB TYR 37 -11.682 12.859 -19.555 314 HD1 TYR 37 HD2 TYR 37 -13.515 11.252 -19.943 315 HD2 TYR 37 HD1 TYR 37 -9.569 10.504 -21.347 316 HE1 TYR 37 HE2 TYR 37 -14.081 8.878 -20.250 317 HE2 TYR 37 HE1 TYR 37 -10.124 8.128 -21.659 318 HH TYR 37 HH TYR 37 -13.149 6.951 -21.802 319 H SER 38 H SER 38 -13.610 14.554 -20.776 320 HA SER 38 HA SER 38 -15.422 13.538 -22.777 321 HB2 SER 38 2HB SER 38 -15.183 11.755 -20.908 322 HB3 SER 38 3HB SER 38 -16.125 12.877 -19.927 323 HG SER 38 HG SER 38 -17.032 11.135 -21.667 324 H SER 39 H SER 39 -15.209 15.968 -22.909 325 HA SER 39 HA SER 39 -16.200 17.710 -20.979 326 HB2 SER 39 2HB SER 39 -16.945 18.760 -23.497 327 HB3 SER 39 3HB SER 39 -15.508 19.147 -22.551 328 HG SER 39 HG SER 39 -14.902 18.403 -24.589 329 H LYS 40 H LYS 40 -17.851 15.418 -22.885 330 HA LYS 40 HA LYS 40 -20.427 16.739 -22.720 331 HB2 LYS 40 2HB LYS 40 -19.819 13.921 -23.623 332 HB3 LYS 40 3HB LYS 40 -21.288 14.837 -23.930 333 HG2 LYS 40 2HG LYS 40 -20.227 15.076 -25.933 334 HG3 LYS 40 3HG LYS 40 -19.625 16.505 -25.089 335 HD2 LYS 40 2HD LYS 40 -17.535 15.790 -25.334 336 HD3 LYS 40 3HD LYS 40 -17.927 14.300 -24.472 337 HE2 LYS 40 2HE LYS 40 -18.279 13.115 -26.402 338 HE3 LYS 40 3HE LYS 40 -18.744 14.544 -27.323 339 HZ1 LYS 40 3HZ LYS 40 -16.170 13.341 -27.021 340 HZ2 LYS 40 1HZ LYS 40 -16.137 14.992 -26.654 341 HZ3 LYS 40 2HZ LYS 40 -16.702 14.472 -28.161 342 H ASP 41 H ASP 41 -18.653 14.202 -21.090 343 HA ASP 41 HA ASP 41 -20.953 13.395 -19.516 344 HB2 ASP 41 2HB ASP 41 -18.058 12.529 -19.498 345 HB3 ASP 41 3HB ASP 41 -19.267 11.894 -18.386 346 H ASN 42 H ASN 42 -17.658 14.359 -18.552 347 HA ASN 42 HA ASN 42 -16.888 15.527 -16.756 348 HB2 ASN 42 2HB ASN 42 -19.473 17.067 -17.079 349 HB3 ASN 42 3HB ASN 42 -18.024 17.623 -16.247 350 HD21 ASN 42 1HD2 ASN 42 -19.296 18.968 -18.367 351 HD22 ASN 42 2HD2 ASN 42 -18.201 19.014 -19.703 352 H THR 43 H THR 43 -17.748 16.522 -14.505 353 HA THR 43 HA THR 43 -19.609 14.583 -13.312 354 HB THR 43 HB THR 43 -17.996 14.830 -11.232 355 HG1 THR 43 HG1 THR 43 -15.941 15.288 -11.740 356 HG21 THR 43 3HG2 THR 43 -16.780 12.984 -13.154 357 HG22 THR 43 1HG2 THR 43 -18.534 12.848 -13.041 358 HG23 THR 43 2HG2 THR 43 -17.540 12.659 -11.597 359 H TRP 44 H TRP 44 -21.007 15.403 -11.845 360 HA TRP 44 HA TRP 44 -20.948 18.295 -11.445 361 HB2 TRP 44 2HB TRP 44 -23.154 16.434 -10.580 362 HB3 TRP 44 3HB TRP 44 -23.249 18.159 -10.923 363 HD1 TRP 44 HD1 TRP 44 -23.374 18.896 -13.499 364 HE1 TRP 44 HE1 TRP 44 -24.041 17.598 -15.620 365 HE3 TRP 44 HE3 TRP 44 -23.052 14.132 -11.671 366 HZ2 TRP 44 HZ2 TRP 44 -24.385 14.911 -16.413 367 HZ3 TRP 44 HZ3 TRP 44 -23.567 12.254 -13.175 368 HH2 TRP 44 HH2 TRP 44 -24.220 12.638 -15.497 369 H GLU 45 H GLU 45 -19.912 19.014 -9.707 370 HA GLU 45 HA GLU 45 -20.196 17.505 -7.191 371 HB2 GLU 45 2HB GLU 45 -17.805 18.974 -8.291 372 HB3 GLU 45 3HB GLU 45 -17.947 18.546 -6.592 373 HG2 GLU 45 2HG GLU 45 -18.455 16.295 -8.354 374 HG3 GLU 45 3HG GLU 45 -16.852 16.994 -8.579 375 H THR 46 H THR 46 -21.143 18.573 -5.590 376 HA THR 46 HA THR 46 -22.377 20.983 -5.737 377 HB THR 46 HB THR 46 -21.709 21.021 -3.099 378 HG1 THR 46 HG1 THR 46 -21.281 18.975 -2.410 379 HG21 THR 46 3HG2 THR 46 -23.748 19.665 -2.742 380 HG22 THR 46 1HG2 THR 46 -23.743 19.248 -4.455 381 HG23 THR 46 2HG2 THR 46 -23.974 20.923 -3.956 382 H GLU 47 H GLU 47 -21.941 23.110 -5.018 383 HA GLU 47 HA GLU 47 -19.471 24.159 -5.793 384 HB2 GLU 47 2HB GLU 47 -21.277 25.654 -5.839 385 HB3 GLU 47 3HB GLU 47 -21.761 25.264 -4.195 386 HG2 GLU 47 2HG GLU 47 -19.820 26.420 -3.320 387 HG3 GLU 47 3HG GLU 47 -19.266 26.763 -4.958 388 H ASP 48 H ASP 48 -20.493 22.792 -2.803 389 HA ASP 48 HA ASP 48 -18.214 23.917 -1.357 390 HB2 ASP 48 2HB ASP 48 -20.834 22.952 -0.615 391 HB3 ASP 48 3HB ASP 48 -19.587 22.126 0.316 392 H ASP 49 H ASP 49 -18.731 21.398 -3.366 393 HA ASP 49 HA ASP 49 -16.772 19.696 -1.968 394 HB2 ASP 49 2HB ASP 49 -19.218 18.840 -2.400 395 HB3 ASP 49 3HB ASP 49 -18.626 18.582 -4.039 396 H ILE 50 H ILE 50 -17.299 21.700 -4.574 397 HA ILE 50 HA ILE 50 -15.445 20.289 -6.344 398 HB ILE 50 HB ILE 50 -17.495 21.211 -7.345 399 HG12 ILE 50 2HG1 ILE 50 -15.912 22.961 -8.839 400 HG13 ILE 50 3HG1 ILE 50 -14.776 21.785 -8.187 401 HG21 ILE 50 1HG2 ILE 50 -16.608 23.997 -7.240 402 HG22 ILE 50 2HG2 ILE 50 -18.221 23.310 -7.050 403 HG23 ILE 50 3HG2 ILE 50 -17.109 23.339 -5.682 404 HD11 ILE 50 3HD1 ILE 50 -15.475 20.986 -10.295 405 HD12 ILE 50 1HD1 ILE 50 -16.282 19.992 -9.083 406 HD13 ILE 50 2HD1 ILE 50 -17.174 21.266 -9.915 407 H ARG 51 H ARG 51 -15.724 23.194 -4.398 408 HA ARG 51 HA ARG 51 -13.261 24.335 -5.346 409 HB2 ARG 51 2HB ARG 51 -13.798 26.169 -4.099 410 HB3 ARG 51 3HB ARG 51 -15.399 25.451 -4.218 411 HG2 ARG 51 2HG ARG 51 -13.527 24.982 -1.911 412 HG3 ARG 51 3HG ARG 51 -14.765 26.240 -1.939 413 HD2 ARG 51 2HD ARG 51 -16.511 24.640 -2.057 414 HD3 ARG 51 3HD ARG 51 -15.380 23.330 -2.393 415 HE ARG 51 HE ARG 51 -15.082 23.095 -0.148 416 HH11 ARG 51 1HH1 ARG 51 -16.321 26.289 -0.771 417 HH12 ARG 51 2HH1 ARG 51 -16.482 26.695 0.906 418 HH21 ARG 51 1HH2 ARG 51 -15.289 23.619 2.063 419 HH22 ARG 51 2HH2 ARG 51 -15.893 25.176 2.517 420 H THR 52 H THR 52 -14.126 21.972 -3.055 421 HA THR 52 HA THR 52 -11.762 22.337 -1.406 422 HB THR 52 HB THR 52 -13.846 21.630 -0.325 423 HG1 THR 52 HG1 THR 52 -12.410 20.747 0.955 424 HG21 THR 52 3HG2 THR 52 -15.085 19.825 -0.928 425 HG22 THR 52 1HG2 THR 52 -13.677 18.888 -1.426 426 HG23 THR 52 2HG2 THR 52 -14.336 20.126 -2.495 427 H LYS 53 H LYS 53 -12.910 20.264 -3.981 428 HA LYS 53 HA LYS 53 -10.465 18.650 -3.818 429 HB2 LYS 53 2HB LYS 53 -12.815 18.153 -5.638 430 HB3 LYS 53 3HB LYS 53 -11.561 17.019 -5.153 431 HG2 LYS 53 2HG LYS 53 -13.749 18.145 -3.419 432 HG3 LYS 53 3HG LYS 53 -13.597 16.487 -4.004 433 HD2 LYS 53 2HD LYS 53 -11.447 16.318 -2.746 434 HD3 LYS 53 3HD LYS 53 -11.784 17.909 -2.058 435 HE2 LYS 53 2HE LYS 53 -12.781 16.746 -0.417 436 HE3 LYS 53 3HE LYS 53 -14.117 16.607 -1.560 437 HZ1 LYS 53 3HZ LYS 53 -13.760 14.436 -0.920 438 HZ2 LYS 53 1HZ LYS 53 -12.078 14.606 -0.843 439 HZ3 LYS 53 2HZ LYS 53 -12.852 14.520 -2.345 440 H TYR 54 H TYR 54 -12.205 20.892 -5.863 441 HA TYR 54 HA TYR 54 -9.896 20.923 -7.691 442 HB2 TYR 54 2HB TYR 54 -12.705 21.551 -8.577 443 HB3 TYR 54 3HB TYR 54 -11.297 21.199 -9.574 444 HD1 TYR 54 HD2 TYR 54 -10.269 18.797 -9.228 445 HD2 TYR 54 HD1 TYR 54 -14.258 19.876 -8.215 446 HE1 TYR 54 HE2 TYR 54 -10.929 16.430 -9.332 447 HE2 TYR 54 HE1 TYR 54 -14.929 17.512 -8.315 448 HH TYR 54 HH TYR 54 -14.053 15.399 -9.521 449 H GLY 55 H GLY 55 -10.418 22.545 -5.323 450 HA2 GLY 55 2HA GLY 55 -11.462 25.059 -5.814 451 HA3 GLY 55 3HA GLY 55 -10.138 24.739 -4.703 452 H ASP 56 H ASP 56 -8.585 23.659 -7.095 453 HA ASP 56 HA ASP 56 -7.081 25.967 -7.616 454 HB2 ASP 56 2HB ASP 56 -6.816 23.240 -8.114 455 HB3 ASP 56 3HB ASP 56 -6.851 23.969 -9.717 456 H LEU 57 H LEU 57 -9.336 24.211 -9.747 457 HA LEU 57 HA LEU 57 -9.265 26.337 -11.703 458 HB2 LEU 57 2HB LEU 57 -11.222 24.812 -12.622 459 HB3 LEU 57 3HB LEU 57 -9.524 24.390 -12.831 460 HG LEU 57 HG LEU 57 -10.889 23.326 -10.425 461 HD11 LEU 57 1HD1 LEU 57 -11.298 21.496 -12.570 462 HD12 LEU 57 2HD1 LEU 57 -12.067 23.031 -12.972 463 HD13 LEU 57 3HD1 LEU 57 -12.484 22.203 -11.472 464 HD21 LEU 57 3HD2 LEU 57 -8.520 22.885 -10.921 465 HD22 LEU 57 1HD2 LEU 57 -8.993 22.117 -12.436 466 HD23 LEU 57 2HD2 LEU 57 -9.484 21.408 -10.897 467 H VAL 58 H VAL 58 -11.382 25.211 -9.156 468 HA VAL 58 HA VAL 58 -13.748 26.501 -9.804 469 HB VAL 58 HB VAL 58 -12.561 26.069 -7.060 470 HG11 VAL 58 1HG1 VAL 58 -15.192 27.117 -7.971 471 HG12 VAL 58 2HG1 VAL 58 -15.150 26.069 -6.552 472 HG13 VAL 58 3HG1 VAL 58 -14.219 27.567 -6.571 473 HG21 VAL 58 3HG2 VAL 58 -14.744 24.345 -7.692 474 HG22 VAL 58 1HG2 VAL 58 -13.548 24.253 -8.986 475 HG23 VAL 58 2HG2 VAL 58 -13.073 23.923 -7.320 476 H ASP 59 H ASP 59 -10.880 27.768 -8.174 477 HA ASP 59 HA ASP 59 -12.067 30.361 -7.749 478 HB2 ASP 59 2HB ASP 59 -9.326 29.206 -7.293 479 HB3 ASP 59 3HB ASP 59 -9.628 30.933 -7.122 480 H ASP 60 H ASP 60 -11.219 28.929 -10.480 481 HA ASP 60 HA ASP 60 -10.068 31.372 -11.664 482 HB2 ASP 60 2HB ASP 60 -9.565 28.478 -12.179 483 HB3 ASP 60 3HB ASP 60 -9.481 29.586 -13.546 484 H PHE 61 H PHE 61 -12.720 29.233 -11.600 485 HA PHE 61 HA PHE 61 -13.707 30.126 -14.206 486 HB2 PHE 61 2HB PHE 61 -13.894 27.747 -13.799 487 HB3 PHE 61 3HB PHE 61 -14.739 28.035 -12.281 488 HD1 PHE 61 HD1 PHE 61 -15.015 28.460 -15.951 489 HD2 PHE 61 HD2 PHE 61 -17.063 28.246 -12.226 490 HE1 PHE 61 HE1 PHE 61 -17.167 28.386 -17.143 491 HE2 PHE 61 HE2 PHE 61 -19.218 28.172 -13.411 492 HZ PHE 61 HZ PHE 61 -19.272 28.241 -15.873 493 H GLU 62 H GLU 62 -14.835 29.920 -10.832 494 HA GLU 62 HA GLU 62 -17.107 31.583 -11.293 495 HB2 GLU 62 2HB GLU 62 -17.505 31.431 -8.949 496 HB3 GLU 62 3HB GLU 62 -16.902 29.863 -9.467 497 HG2 GLU 62 2HG GLU 62 -15.635 30.111 -7.618 498 HG3 GLU 62 3HG GLU 62 -14.588 30.953 -8.758 499 H LYS 63 H LYS 63 -13.845 32.114 -10.085 500 HA LYS 63 HA LYS 63 -14.251 34.784 -9.218 501 HB2 LYS 63 2HB LYS 63 -11.718 33.357 -10.049 502 HB3 LYS 63 3HB LYS 63 -11.770 34.925 -9.254 503 HG2 LYS 63 2HG LYS 63 -12.914 32.413 -8.058 504 HG3 LYS 63 3HG LYS 63 -11.274 32.991 -7.754 505 HD2 LYS 63 2HD LYS 63 -13.767 34.603 -7.223 506 HD3 LYS 63 3HD LYS 63 -12.929 33.641 -6.003 507 HE2 LYS 63 2HE LYS 63 -10.846 35.022 -6.791 508 HE3 LYS 63 3HE LYS 63 -12.069 36.152 -7.370 509 HZ1 LYS 63 3HZ LYS 63 -12.263 35.149 -4.620 510 HZ2 LYS 63 1HZ LYS 63 -12.758 36.634 -5.261 511 HZ3 LYS 63 2HZ LYS 63 -11.118 36.345 -4.967 512 H ASN 64 H ASN 64 -14.178 33.436 -12.288 513 HA ASN 64 HA ASN 64 -13.240 35.915 -13.546 514 HB2 ASN 64 2HB ASN 64 -13.593 33.102 -14.559 515 HB3 ASN 64 3HB ASN 64 -13.416 34.459 -15.668 516 HD21 ASN 64 1HD2 ASN 64 -11.874 33.798 -12.554 517 HD22 ASN 64 2HD2 ASN 64 -10.254 33.815 -13.155 518 H GLN 65 H GLN 65 -16.034 33.849 -13.172 519 HA GLN 65 HA GLN 65 -17.607 35.353 -15.086 520 HB2 GLN 65 2HB GLN 65 -19.364 33.795 -14.639 521 HB3 GLN 65 3HB GLN 65 -17.866 32.880 -14.752 522 HG2 GLN 65 2HG GLN 65 -18.572 31.918 -12.867 523 HG3 GLN 65 3HG GLN 65 -17.961 33.380 -12.094 524 HE21 GLN 65 1HE2 GLN 65 -20.877 32.600 -13.963 525 HE22 GLN 65 2HE2 GLN 65 -21.996 33.188 -12.785 526 H LYS 66 H LYS 66 -17.166 35.145 -11.625 527 HA LYS 66 HA LYS 66 -19.468 36.524 -10.801 528 HB2 LYS 66 2HB LYS 66 -16.747 36.144 -9.578 529 HB3 LYS 66 3HB LYS 66 -17.968 37.131 -8.786 530 HG2 LYS 66 2HG LYS 66 -18.275 34.228 -9.527 531 HG3 LYS 66 3HG LYS 66 -17.926 34.852 -7.913 532 HD2 LYS 66 2HD LYS 66 -20.407 35.405 -9.542 533 HD3 LYS 66 3HD LYS 66 -20.295 34.331 -8.145 534 HE2 LYS 66 2HE LYS 66 -20.961 36.131 -6.982 535 HE3 LYS 66 3HE LYS 66 -19.280 36.640 -7.130 536 HZ1 LYS 66 3HZ LYS 66 -19.785 38.169 -8.730 537 HZ2 LYS 66 1HZ LYS 66 -21.218 38.217 -7.831 538 HZ3 LYS 66 2HZ LYS 66 -21.154 37.338 -9.275 539 H LYS 67 H LYS 67 -16.709 37.607 -12.466 540 HA LYS 67 HA LYS 67 -17.681 40.342 -12.360 541 HB2 LYS 67 2HB LYS 67 -15.646 39.628 -10.647 542 HB3 LYS 67 3HB LYS 67 -14.770 40.255 -12.037 543 HG2 LYS 67 2HG LYS 67 -16.364 42.267 -11.866 544 HG3 LYS 67 3HG LYS 67 -16.707 41.662 -10.243 545 HD2 LYS 67 2HD LYS 67 -13.855 41.867 -10.982 546 HD3 LYS 67 3HD LYS 67 -14.722 43.394 -10.800 547 HE2 LYS 67 2HE LYS 67 -15.084 43.078 -8.564 548 HE3 LYS 67 3HE LYS 67 -15.077 41.320 -8.700 549 HZ1 LYS 67 3HZ LYS 67 -13.079 41.638 -7.703 550 HZ2 LYS 67 1HZ LYS 67 -12.837 43.169 -8.380 551 HZ3 LYS 67 2HZ LYS 67 -12.573 41.782 -9.310 Start of MODEL 3 1 H1 MET 1 H MET 1 -1.829 -4.770 -25.889 2 HA MET 1 HA MET 1 -1.687 -6.416 -24.237 3 HB2 MET 1 2HB MET 1 0.513 -7.601 -25.941 4 HB3 MET 1 3HB MET 1 -0.129 -8.302 -24.461 5 HG2 MET 1 2HG MET 1 -1.585 -9.412 -25.694 6 HG3 MET 1 3HG MET 1 -2.348 -7.875 -26.093 7 HE1 MET 1 3HE MET 1 -1.159 -10.746 -28.981 8 HE2 MET 1 1HE MET 1 -1.779 -10.826 -27.331 9 HE3 MET 1 2HE MET 1 -2.736 -10.056 -28.596 10 H HIS 2 H HIS 2 -0.627 -3.893 -24.141 11 HA HIS 2 HA HIS 2 1.499 -4.258 -22.230 12 HB2 HIS 2 2HB HIS 2 3.023 -2.624 -23.358 13 HB3 HIS 2 3HB HIS 2 2.860 -4.155 -24.214 14 HD1 HIS 2 HD1 HIS 2 2.863 -3.716 -26.637 15 HD2 HIS 2 HD2 HIS 2 0.778 -0.790 -24.552 16 HE1 HIS 2 HE1 HIS 2 1.971 -2.148 -28.390 17 H HIS 3 H HIS 3 2.328 -1.799 -21.719 18 HA HIS 3 HA HIS 3 0.332 0.220 -21.884 19 HB2 HIS 3 2HB HIS 3 -0.093 0.280 -19.370 20 HB3 HIS 3 3HB HIS 3 -0.906 -0.994 -20.273 21 HD1 HIS 3 HD1 HIS 3 1.387 -0.426 -17.478 22 HD2 HIS 3 HD2 HIS 3 0.318 -3.601 -19.936 23 HE1 HIS 3 HE1 HIS 3 2.214 -2.492 -16.306 24 H HIS 4 H HIS 4 1.667 1.880 -22.176 25 HA HIS 4 HA HIS 4 3.454 2.684 -20.080 26 HB2 HIS 4 2HB HIS 4 5.444 2.816 -21.674 27 HB3 HIS 4 3HB HIS 4 5.022 1.216 -21.071 28 HD1 HIS 4 HD1 HIS 4 3.509 3.089 -24.010 29 HD2 HIS 4 HD2 HIS 4 5.630 -0.385 -23.177 30 HE1 HIS 4 HE1 HIS 4 3.622 1.832 -26.185 31 H HIS 5 H HIS 5 1.316 4.030 -20.864 32 HA HIS 5 HA HIS 5 2.241 6.093 -22.743 33 HB2 HIS 5 2HB HIS 5 -0.510 5.279 -21.816 34 HB3 HIS 5 3HB HIS 5 -0.220 6.800 -22.655 35 HD1 HIS 5 HD1 HIS 5 1.181 6.354 -25.059 36 HD2 HIS 5 HD2 HIS 5 -1.186 3.306 -23.521 37 HE1 HIS 5 HE1 HIS 5 0.719 4.819 -26.997 38 H HIS 6 H HIS 6 3.309 6.036 -20.135 39 HA HIS 6 HA HIS 6 3.775 7.430 -18.398 40 HB2 HIS 6 2HB HIS 6 2.096 9.478 -19.854 41 HB3 HIS 6 3HB HIS 6 3.358 9.786 -18.666 42 HD1 HIS 6 HD1 HIS 6 5.542 7.920 -19.865 43 HD2 HIS 6 HD2 HIS 6 3.264 10.624 -22.045 44 HE1 HIS 6 HE1 HIS 6 6.890 8.426 -21.927 45 H HIS 7 H HIS 7 2.766 8.675 -16.579 46 HA HIS 7 HA HIS 7 -0.010 7.787 -16.141 47 HB2 HIS 7 2HB HIS 7 2.060 8.131 -13.971 48 HB3 HIS 7 3HB HIS 7 0.481 7.361 -13.843 49 HD1 HIS 7 HD1 HIS 7 3.867 6.464 -13.946 50 HD2 HIS 7 HD2 HIS 7 0.468 5.009 -15.841 51 HE1 HIS 7 HE1 HIS 7 4.448 4.126 -14.668 52 H GLU 8 H GLU 8 2.423 10.240 -15.361 53 HA GLU 8 HA GLU 8 2.246 12.459 -14.886 54 HB2 GLU 8 2HB GLU 8 0.054 11.886 -16.631 55 HB3 GLU 8 3HB GLU 8 -0.484 13.037 -15.416 56 HG2 GLU 8 2HG GLU 8 0.298 14.419 -17.073 57 HG3 GLU 8 3HG GLU 8 1.697 14.302 -16.008 58 H VAL 9 H VAL 9 1.405 13.937 -13.304 59 HA VAL 9 HA VAL 9 0.780 14.401 -11.159 60 HB VAL 9 HB VAL 9 -1.626 12.743 -11.929 61 HG11 VAL 9 1HG1 VAL 9 -2.519 14.654 -10.217 62 HG12 VAL 9 2HG1 VAL 9 -2.110 13.002 -9.750 63 HG13 VAL 9 3HG1 VAL 9 -0.931 14.297 -9.538 64 HG21 VAL 9 3HG2 VAL 9 -1.013 14.692 -13.430 65 HG22 VAL 9 1HG2 VAL 9 -2.631 14.726 -12.728 66 HG23 VAL 9 2HG2 VAL 9 -1.354 15.737 -12.051 67 HA PRO 10 HA PRO 10 2.244 10.289 -9.588 68 HB2 PRO 10 2HB PRO 10 4.347 11.309 -8.208 69 HB3 PRO 10 3HB PRO 10 4.441 10.874 -9.918 70 HG2 PRO 10 2HG PRO 10 4.049 13.565 -8.667 71 HG3 PRO 10 3HG PRO 10 5.084 13.106 -10.032 72 HD2 PRO 10 2HD PRO 10 2.672 14.290 -10.367 73 HD3 PRO 10 3HD PRO 10 3.332 13.121 -11.529 74 H GLN 11 H GLN 11 0.118 10.682 -8.430 75 HA GLN 11 HA GLN 11 0.484 10.529 -5.666 76 HB2 GLN 11 2HB GLN 11 -0.713 12.648 -5.008 77 HB3 GLN 11 3HB GLN 11 0.926 12.866 -5.608 78 HG2 GLN 11 2HG GLN 11 -0.756 13.044 -7.846 79 HG3 GLN 11 3HG GLN 11 -1.522 13.988 -6.569 80 HE21 GLN 11 1HE2 GLN 11 1.274 13.650 -8.605 81 HE22 GLN 11 2HE2 GLN 11 1.930 15.221 -8.310 82 H THR 12 H THR 12 -1.691 11.365 -8.299 83 HA THR 12 HA THR 12 -3.532 9.333 -7.700 84 HB THR 12 HB THR 12 -5.344 11.394 -7.275 85 HG1 THR 12 HG1 THR 12 -3.621 12.789 -6.692 86 HG21 THR 12 3HG2 THR 12 -5.930 9.649 -5.993 87 HG22 THR 12 1HG2 THR 12 -4.888 10.367 -4.765 88 HG23 THR 12 2HG2 THR 12 -4.262 9.102 -5.823 89 H PHE 13 H PHE 13 -4.318 12.665 -8.626 90 HA PHE 13 HA PHE 13 -4.104 12.306 -11.408 91 HB2 PHE 13 2HB PHE 13 -6.468 12.130 -12.027 92 HB3 PHE 13 3HB PHE 13 -5.962 10.732 -11.085 93 HD1 PHE 13 HD1 PHE 13 -7.970 13.794 -11.084 94 HD2 PHE 13 HD2 PHE 13 -6.842 10.328 -8.887 95 HE1 PHE 13 HE1 PHE 13 -9.822 14.191 -9.513 96 HE2 PHE 13 HE2 PHE 13 -8.692 10.718 -7.314 97 HZ PHE 13 HZ PHE 13 -10.186 12.651 -7.626 98 H GLU 14 H GLU 14 -5.906 13.971 -12.462 99 HA GLU 14 HA GLU 14 -6.239 16.327 -10.820 100 HB2 GLU 14 2HB GLU 14 -4.094 16.085 -12.851 101 HB3 GLU 14 3HB GLU 14 -5.013 17.583 -12.861 102 HG2 GLU 14 2HG GLU 14 -4.522 17.630 -10.328 103 HG3 GLU 14 3HG GLU 14 -3.261 16.461 -10.718 104 H VAL 15 H VAL 15 -7.398 18.056 -11.969 105 HA VAL 15 HA VAL 15 -9.083 16.946 -14.117 106 HB VAL 15 HB VAL 15 -9.847 19.154 -12.208 107 HG11 VAL 15 1HG1 VAL 15 -11.403 19.453 -13.796 108 HG12 VAL 15 2HG1 VAL 15 -11.102 17.875 -14.528 109 HG13 VAL 15 3HG1 VAL 15 -12.144 18.007 -13.111 110 HG21 VAL 15 3HG2 VAL 15 -10.059 16.197 -11.971 111 HG22 VAL 15 1HG2 VAL 15 -9.781 17.415 -10.726 112 HG23 VAL 15 2HG2 VAL 15 -11.400 17.180 -11.384 113 H GLU 16 H GLU 16 -9.709 18.305 -15.833 114 HA GLU 16 HA GLU 16 -7.707 20.062 -16.760 115 HB2 GLU 16 2HB GLU 16 -10.025 18.824 -17.811 116 HB3 GLU 16 3HB GLU 16 -10.197 20.550 -18.098 117 HG2 GLU 16 2HG GLU 16 -7.697 19.057 -18.816 118 HG3 GLU 16 3HG GLU 16 -9.076 19.170 -19.908 119 H ARG 17 H ARG 17 -11.127 20.903 -16.214 120 HA ARG 17 HA ARG 17 -10.608 23.070 -14.488 121 HB2 ARG 17 2HB ARG 17 -10.563 24.925 -15.830 122 HB3 ARG 17 3HB ARG 17 -9.754 23.782 -16.894 123 HG2 ARG 17 2HG ARG 17 -12.677 24.503 -16.998 124 HG3 ARG 17 3HG ARG 17 -11.423 25.117 -18.077 125 HD2 ARG 17 2HD ARG 17 -11.975 22.180 -17.759 126 HD3 ARG 17 3HD ARG 17 -12.843 23.179 -18.925 127 HE ARG 17 HE ARG 17 -10.207 22.161 -19.192 128 HH11 ARG 17 1HH1 ARG 17 -12.196 24.920 -19.933 129 HH12 ARG 17 2HH1 ARG 17 -11.264 25.383 -21.319 130 HH21 ARG 17 1HH2 ARG 17 -8.972 22.760 -21.014 131 HH22 ARG 17 2HH2 ARG 17 -9.432 24.154 -21.933 132 H ILE 18 H ILE 18 -12.568 24.447 -14.173 133 HA ILE 18 HA ILE 18 -14.885 22.794 -14.042 134 HB ILE 18 HB ILE 18 -14.710 25.768 -13.550 135 HG12 ILE 18 2HG1 ILE 18 -13.127 24.167 -12.241 136 HG13 ILE 18 3HG1 ILE 18 -14.066 25.358 -11.348 137 HG21 ILE 18 1HG2 ILE 18 -16.712 23.671 -12.733 138 HG22 ILE 18 2HG2 ILE 18 -16.649 25.290 -12.039 139 HG23 ILE 18 3HG2 ILE 18 -16.984 25.080 -13.758 140 HD11 ILE 18 3HD1 ILE 18 -13.958 22.991 -10.424 141 HD12 ILE 18 1HD1 ILE 18 -15.546 23.749 -10.538 142 HD13 ILE 18 2HD1 ILE 18 -15.049 22.557 -11.740 143 H VAL 19 H VAL 19 -16.075 22.335 -15.771 144 HA VAL 19 HA VAL 19 -16.124 23.778 -18.167 145 HB VAL 19 HB VAL 19 -18.376 22.020 -17.207 146 HG11 VAL 19 1HG1 VAL 19 -17.388 21.973 -19.990 147 HG12 VAL 19 2HG1 VAL 19 -19.037 21.890 -19.366 148 HG13 VAL 19 3HG1 VAL 19 -18.211 23.445 -19.475 149 HG21 VAL 19 3HG2 VAL 19 -16.695 20.429 -18.716 150 HG22 VAL 19 1HG2 VAL 19 -15.593 21.341 -17.684 151 HG23 VAL 19 2HG2 VAL 19 -16.883 20.378 -16.963 152 H ARG 20 H ARG 20 -18.583 23.631 -15.589 153 HA ARG 20 HA ARG 20 -19.235 26.394 -15.889 154 HB2 ARG 20 2HB ARG 20 -21.580 26.071 -16.600 155 HB3 ARG 20 3HB ARG 20 -20.429 25.590 -17.840 156 HG2 ARG 20 2HG ARG 20 -21.324 23.454 -16.020 157 HG3 ARG 20 3HG ARG 20 -22.545 24.113 -17.111 158 HD2 ARG 20 2HD ARG 20 -20.199 23.755 -18.631 159 HD3 ARG 20 3HD ARG 20 -20.409 22.291 -17.671 160 HE ARG 20 HE ARG 20 -22.264 21.774 -18.919 161 HH11 ARG 20 1HH1 ARG 20 -21.361 25.085 -19.504 162 HH12 ARG 20 2HH1 ARG 20 -22.469 25.290 -20.820 163 HH21 ARG 20 1HH2 ARG 20 -23.726 22.032 -20.650 164 HH22 ARG 20 2HH2 ARG 20 -23.814 23.554 -21.471 165 H LYS 21 H LYS 21 -21.641 26.599 -14.741 166 HA LYS 21 HA LYS 21 -21.833 24.817 -12.461 167 HB2 LYS 21 2HB LYS 21 -21.533 26.497 -10.779 168 HB3 LYS 21 3HB LYS 21 -20.124 26.537 -11.830 169 HG2 LYS 21 2HG LYS 21 -20.835 28.527 -12.876 170 HG3 LYS 21 3HG LYS 21 -22.453 28.400 -12.180 171 HD2 LYS 21 2HD LYS 21 -20.900 28.410 -9.944 172 HD3 LYS 21 3HD LYS 21 -19.971 29.457 -11.019 173 HE2 LYS 21 2HE LYS 21 -22.263 30.591 -11.469 174 HE3 LYS 21 3HE LYS 21 -22.752 29.805 -9.969 175 HZ1 LYS 21 3HZ LYS 21 -20.311 31.464 -10.114 176 HZ2 LYS 21 1HZ LYS 21 -21.197 31.008 -8.747 177 HZ3 LYS 21 2HZ LYS 21 -21.828 32.152 -9.819 178 H LYS 22 H LYS 22 -23.757 25.207 -11.170 179 HA LYS 22 HA LYS 22 -25.703 27.131 -11.903 180 HB2 LYS 22 2HB LYS 22 -27.294 25.822 -13.078 181 HB3 LYS 22 3HB LYS 22 -25.755 25.557 -13.888 182 HG2 LYS 22 2HG LYS 22 -26.150 23.385 -13.701 183 HG3 LYS 22 3HG LYS 22 -25.868 23.560 -11.968 184 HD2 LYS 22 2HD LYS 22 -27.964 22.863 -11.665 185 HD3 LYS 22 3HD LYS 22 -28.489 24.410 -12.333 186 HE2 LYS 22 2HE LYS 22 -28.298 23.323 -14.617 187 HE3 LYS 22 3HE LYS 22 -28.132 21.788 -13.765 188 HZ1 LYS 22 3HZ LYS 22 -30.464 22.729 -14.536 189 HZ2 LYS 22 1HZ LYS 22 -30.388 23.482 -13.023 190 HZ3 LYS 22 2HZ LYS 22 -30.291 21.797 -13.134 191 H ILE 23 H ILE 23 -27.451 27.150 -10.496 192 HA ILE 23 HA ILE 23 -27.282 25.208 -8.288 193 HB ILE 23 HB ILE 23 -27.940 26.839 -6.766 194 HG12 ILE 23 2HG1 ILE 23 -28.613 29.198 -7.896 195 HG13 ILE 23 3HG1 ILE 23 -29.194 28.096 -9.139 196 HG21 ILE 23 1HG2 ILE 23 -25.688 27.221 -8.086 197 HG22 ILE 23 2HG2 ILE 23 -26.498 28.709 -8.572 198 HG23 ILE 23 3HG2 ILE 23 -26.240 28.364 -6.862 199 HD11 ILE 23 3HD1 ILE 23 -30.019 27.142 -6.582 200 HD12 ILE 23 1HD1 ILE 23 -30.461 28.841 -6.748 201 HD13 ILE 23 2HD1 ILE 23 -31.002 27.667 -7.948 202 H VAL 24 H VAL 24 -29.205 24.418 -7.359 203 HA VAL 24 HA VAL 24 -31.681 24.912 -8.856 204 HB VAL 24 HB VAL 24 -31.303 22.118 -8.008 205 HG11 VAL 24 1HG1 VAL 24 -32.044 22.842 -10.769 206 HG12 VAL 24 2HG1 VAL 24 -32.796 21.702 -9.651 207 HG13 VAL 24 3HG1 VAL 24 -33.118 23.430 -9.500 208 HG21 VAL 24 3HG2 VAL 24 -29.961 21.559 -10.022 209 HG22 VAL 24 1HG2 VAL 24 -29.690 23.284 -10.272 210 HG23 VAL 24 2HG2 VAL 24 -29.070 22.495 -8.821 211 H HIS 25 H HIS 25 -33.293 25.388 -7.525 212 HA HIS 25 HA HIS 25 -34.541 25.636 -5.638 213 HB2 HIS 25 2HB HIS 25 -34.307 22.982 -6.024 214 HB3 HIS 25 3HB HIS 25 -33.554 23.110 -4.437 215 HD1 HIS 25 HD1 HIS 25 -36.802 22.964 -6.090 216 HD2 HIS 25 HD2 HIS 25 -35.326 24.273 -2.433 217 HE1 HIS 25 HE1 HIS 25 -38.810 23.174 -4.591 218 H GLY 26 H GLY 26 -31.642 26.431 -5.671 219 HA2 GLY 26 2HA GLY 26 -30.612 27.808 -4.039 220 HA3 GLY 26 3HA GLY 26 -31.441 26.897 -2.785 221 H ASN 27 H ASN 27 -30.211 24.745 -4.992 222 HA ASN 27 HA ASN 27 -27.872 24.252 -3.282 223 HB2 ASN 27 2HB ASN 27 -29.448 22.389 -5.069 224 HB3 ASN 27 3HB ASN 27 -27.969 21.931 -4.229 225 HD21 ASN 27 1HD2 ASN 27 -27.983 21.775 -1.971 226 HD22 ASN 27 2HD2 ASN 27 -29.457 21.602 -1.087 227 H THR 28 H THR 28 -26.096 25.130 -4.129 228 HA THR 28 HA THR 28 -25.737 25.608 -6.912 229 HB THR 28 HB THR 28 -23.446 25.550 -4.976 230 HG1 THR 28 HG1 THR 28 -24.411 27.000 -3.790 231 HG21 THR 28 3HG2 THR 28 -24.038 27.692 -6.975 232 HG22 THR 28 1HG2 THR 28 -23.386 26.148 -7.524 233 HG23 THR 28 2HG2 THR 28 -22.483 27.125 -6.366 234 H SER 29 H SER 29 -24.408 24.585 -8.390 235 HA SER 29 HA SER 29 -23.065 22.119 -7.585 236 HB2 SER 29 2HB SER 29 -25.119 22.238 -9.807 237 HB3 SER 29 3HB SER 29 -24.099 20.848 -9.432 238 HG SER 29 HG SER 29 -26.376 21.745 -8.192 239 H TYR 30 H TYR 30 -21.127 21.971 -8.500 240 HA TYR 30 HA TYR 30 -20.524 23.735 -10.768 241 HB2 TYR 30 2HB TYR 30 -18.884 22.594 -8.539 242 HB3 TYR 30 3HB TYR 30 -18.092 23.045 -10.045 243 HD1 TYR 30 HD2 TYR 30 -20.839 24.638 -8.071 244 HD2 TYR 30 HD1 TYR 30 -16.937 25.018 -9.725 245 HE1 TYR 30 HE2 TYR 30 -20.755 26.978 -7.319 246 HE2 TYR 30 HE1 TYR 30 -16.842 27.359 -8.977 247 HH TYR 30 HH TYR 30 -19.635 28.948 -7.553 248 H LEU 31 H LEU 31 -20.348 22.865 -12.714 249 HA LEU 31 HA LEU 31 -20.030 19.975 -12.976 250 HB2 LEU 31 2HB LEU 31 -21.840 21.106 -14.194 251 HB3 LEU 31 3HB LEU 31 -20.643 22.069 -15.058 252 HG LEU 31 HG LEU 31 -19.802 20.077 -16.164 253 HD11 LEU 31 1HD1 LEU 31 -20.065 18.080 -15.243 254 HD12 LEU 31 2HD1 LEU 31 -21.790 18.164 -15.598 255 HD13 LEU 31 3HD1 LEU 31 -21.180 18.743 -14.048 256 HD21 LEU 31 3HD2 LEU 31 -22.162 21.339 -16.687 257 HD22 LEU 31 1HD2 LEU 31 -22.660 19.649 -16.629 258 HD23 LEU 31 2HD2 LEU 31 -21.390 20.156 -17.743 259 H VAL 32 H VAL 32 -18.041 19.199 -13.149 260 HA VAL 32 HA VAL 32 -16.059 20.747 -14.689 261 HB VAL 32 HB VAL 32 -15.591 20.618 -12.219 262 HG11 VAL 32 1HG1 VAL 32 -16.421 18.357 -11.830 263 HG12 VAL 32 2HG1 VAL 32 -15.133 17.702 -12.843 264 HG13 VAL 32 3HG1 VAL 32 -14.739 18.509 -11.325 265 HG21 VAL 32 3HG2 VAL 32 -13.199 19.904 -12.547 266 HG22 VAL 32 1HG2 VAL 32 -13.644 19.438 -14.189 267 HG23 VAL 32 2HG2 VAL 32 -13.785 21.121 -13.681 268 H LYS 33 H LYS 33 -14.774 19.653 -16.133 269 HA LYS 33 HA LYS 33 -15.744 17.035 -16.940 270 HB2 LYS 33 2HB LYS 33 -14.254 17.384 -18.909 271 HB3 LYS 33 3HB LYS 33 -15.458 18.648 -18.700 272 HG2 LYS 33 2HG LYS 33 -13.362 19.677 -17.313 273 HG3 LYS 33 3HG LYS 33 -12.535 18.788 -18.595 274 HD2 LYS 33 2HD LYS 33 -14.719 20.166 -19.767 275 HD3 LYS 33 3HD LYS 33 -13.854 21.308 -18.736 276 HE2 LYS 33 2HE LYS 33 -11.744 20.639 -19.851 277 HE3 LYS 33 3HE LYS 33 -12.680 19.610 -20.935 278 HZ1 LYS 33 3HZ LYS 33 -13.308 22.479 -20.688 279 HZ2 LYS 33 1HZ LYS 33 -13.634 21.425 -21.970 280 HZ3 LYS 33 2HZ LYS 33 -12.054 21.963 -21.699 281 H TRP 34 H TRP 34 -13.598 15.842 -18.073 282 HA TRP 34 HA TRP 34 -11.679 15.489 -15.867 283 HB2 TRP 34 2HB TRP 34 -12.892 13.284 -17.548 284 HB3 TRP 34 3HB TRP 34 -11.681 13.073 -16.285 285 HD1 TRP 34 HD1 TRP 34 -13.120 15.059 -14.147 286 HE1 TRP 34 HE1 TRP 34 -15.216 14.202 -12.923 287 HE3 TRP 34 HE3 TRP 34 -14.500 11.360 -17.395 288 HZ2 TRP 34 HZ2 TRP 34 -17.193 12.220 -13.287 289 HZ3 TRP 34 HZ3 TRP 34 -16.506 10.029 -16.883 290 HH2 TRP 34 HH2 TRP 34 -17.823 10.452 -14.871 291 H LYS 35 H LYS 35 -10.130 16.741 -16.929 292 HA LYS 35 HA LYS 35 -8.427 17.206 -18.368 293 HB2 LYS 35 2HB LYS 35 -8.224 14.548 -17.633 294 HB3 LYS 35 3HB LYS 35 -8.097 14.487 -19.386 295 HG2 LYS 35 2HG LYS 35 -6.425 16.318 -17.689 296 HG3 LYS 35 3HG LYS 35 -5.930 14.681 -18.126 297 HD2 LYS 35 2HD LYS 35 -6.666 16.823 -20.118 298 HD3 LYS 35 3HD LYS 35 -5.013 16.458 -19.618 299 HE2 LYS 35 2HE LYS 35 -6.318 14.030 -20.357 300 HE3 LYS 35 3HE LYS 35 -6.553 15.216 -21.640 301 HZ1 LYS 35 3HZ LYS 35 -4.134 13.885 -20.779 302 HZ2 LYS 35 1HZ LYS 35 -3.957 15.541 -21.078 303 HZ3 LYS 35 2HZ LYS 35 -4.542 14.520 -22.293 304 H ASN 36 H ASN 36 -11.091 17.382 -19.433 305 HA ASN 36 HA ASN 36 -12.156 17.734 -21.411 306 HB2 ASN 36 2HB ASN 36 -9.304 18.062 -22.007 307 HB3 ASN 36 3HB ASN 36 -10.270 17.635 -23.416 308 HD21 ASN 36 1HD2 ASN 36 -9.144 20.132 -21.580 309 HD22 ASN 36 2HD2 ASN 36 -10.256 21.362 -22.065 310 H TYR 37 H TYR 37 -11.348 14.939 -20.441 311 HA TYR 37 HA TYR 37 -11.168 13.349 -22.816 312 HB2 TYR 37 2HB TYR 37 -10.218 12.486 -20.775 313 HB3 TYR 37 3HB TYR 37 -11.761 12.629 -19.940 314 HD1 TYR 37 HD2 TYR 37 -13.633 11.099 -20.547 315 HD2 TYR 37 HD1 TYR 37 -9.709 10.585 -22.111 316 HE1 TYR 37 HE2 TYR 37 -14.195 8.790 -21.183 317 HE2 TYR 37 HE1 TYR 37 -10.261 8.275 -22.752 318 HH TYR 37 HH TYR 37 -11.859 6.733 -22.888 319 H SER 38 H SER 38 -13.749 14.283 -20.596 320 HA SER 38 HA SER 38 -15.701 12.862 -22.260 321 HB2 SER 38 2HB SER 38 -15.614 13.734 -19.430 322 HB3 SER 38 3HB SER 38 -17.186 13.838 -20.222 323 HG SER 38 HG SER 38 -15.651 11.605 -19.585 324 H SER 39 H SER 39 -15.246 16.047 -20.730 325 HA SER 39 HA SER 39 -15.753 18.146 -21.476 326 HB2 SER 39 2HB SER 39 -15.228 16.916 -23.793 327 HB3 SER 39 3HB SER 39 -16.952 17.200 -24.032 328 HG SER 39 HG SER 39 -15.128 18.901 -24.529 329 H LYS 40 H LYS 40 -18.218 15.911 -22.767 330 HA LYS 40 HA LYS 40 -20.303 17.662 -21.685 331 HB2 LYS 40 2HB LYS 40 -21.845 16.422 -23.110 332 HB3 LYS 40 3HB LYS 40 -20.484 17.017 -24.051 333 HG2 LYS 40 2HG LYS 40 -20.671 14.885 -24.853 334 HG3 LYS 40 3HG LYS 40 -19.493 14.647 -23.561 335 HD2 LYS 40 2HD LYS 40 -20.849 13.099 -22.714 336 HD3 LYS 40 3HD LYS 40 -21.994 14.389 -22.340 337 HE2 LYS 40 2HE LYS 40 -22.836 14.116 -24.725 338 HE3 LYS 40 3HE LYS 40 -21.897 12.625 -24.773 339 HZ1 LYS 40 3HZ LYS 40 -24.315 12.424 -24.128 340 HZ2 LYS 40 1HZ LYS 40 -23.900 13.154 -22.660 341 HZ3 LYS 40 2HZ LYS 40 -23.204 11.676 -23.095 342 H ASP 41 H ASP 41 -18.843 14.550 -21.260 343 HA ASP 41 HA ASP 41 -20.981 13.503 -19.624 344 HB2 ASP 41 2HB ASP 41 -18.578 12.474 -20.870 345 HB3 ASP 41 3HB ASP 41 -18.683 11.961 -19.188 346 H ASN 42 H ASN 42 -19.012 15.931 -19.047 347 HA ASN 42 HA ASN 42 -17.513 15.538 -16.811 348 HB2 ASN 42 2HB ASN 42 -18.340 17.901 -16.127 349 HB3 ASN 42 3HB ASN 42 -17.479 17.716 -17.653 350 HD21 ASN 42 1HD2 ASN 42 -18.371 19.438 -18.683 351 HD22 ASN 42 2HD2 ASN 42 -20.040 19.536 -19.116 352 H THR 43 H THR 43 -17.930 15.941 -14.526 353 HA THR 43 HA THR 43 -20.513 14.800 -13.717 354 HB THR 43 HB THR 43 -18.675 13.486 -12.919 355 HG1 THR 43 HG1 THR 43 -20.114 13.513 -11.300 356 HG21 THR 43 3HG2 THR 43 -17.585 16.042 -11.734 357 HG22 THR 43 1HG2 THR 43 -16.900 15.149 -13.091 358 HG23 THR 43 2HG2 THR 43 -16.916 14.431 -11.480 359 H TRP 44 H TRP 44 -21.442 15.591 -11.664 360 HA TRP 44 HA TRP 44 -21.106 18.506 -11.449 361 HB2 TRP 44 2HB TRP 44 -23.500 16.954 -10.479 362 HB3 TRP 44 3HB TRP 44 -23.381 18.677 -10.826 363 HD1 TRP 44 HD1 TRP 44 -23.389 19.398 -13.442 364 HE1 TRP 44 HE1 TRP 44 -24.365 18.212 -15.508 365 HE3 TRP 44 HE3 TRP 44 -23.933 14.699 -11.501 366 HZ2 TRP 44 HZ2 TRP 44 -25.249 15.628 -16.220 367 HZ3 TRP 44 HZ3 TRP 44 -24.852 12.928 -12.940 368 HH2 TRP 44 HH2 TRP 44 -25.496 13.385 -15.251 369 H GLU 45 H GLU 45 -20.297 19.321 -9.632 370 HA GLU 45 HA GLU 45 -20.475 17.728 -7.166 371 HB2 GLU 45 2HB GLU 45 -18.057 19.021 -8.390 372 HB3 GLU 45 3HB GLU 45 -18.155 18.777 -6.651 373 HG2 GLU 45 2HG GLU 45 -18.853 16.373 -8.085 374 HG3 GLU 45 3HG GLU 45 -17.260 16.966 -8.554 375 H THR 46 H THR 46 -21.391 18.810 -5.561 376 HA THR 46 HA THR 46 -22.482 21.292 -5.648 377 HB THR 46 HB THR 46 -21.805 21.212 -3.006 378 HG1 THR 46 HG1 THR 46 -21.797 18.979 -2.444 379 HG21 THR 46 3HG2 THR 46 -24.072 21.312 -3.883 380 HG22 THR 46 1HG2 THR 46 -23.945 20.031 -2.678 381 HG23 THR 46 2HG2 THR 46 -23.970 19.627 -4.395 382 H GLU 47 H GLU 47 -21.925 23.372 -4.892 383 HA GLU 47 HA GLU 47 -19.385 24.283 -5.620 384 HB2 GLU 47 2HB GLU 47 -21.087 25.890 -5.669 385 HB3 GLU 47 3HB GLU 47 -21.635 25.495 -4.046 386 HG2 GLU 47 2HG GLU 47 -19.656 26.517 -3.096 387 HG3 GLU 47 3HG GLU 47 -19.031 26.852 -4.710 388 H ASP 48 H ASP 48 -20.508 22.892 -2.689 389 HA ASP 48 HA ASP 48 -18.188 23.865 -1.190 390 HB2 ASP 48 2HB ASP 48 -20.739 23.629 -0.375 391 HB3 ASP 48 3HB ASP 48 -20.148 22.034 0.083 392 H ASP 49 H ASP 49 -18.845 21.416 -3.242 393 HA ASP 49 HA ASP 49 -17.016 19.571 -1.849 394 HB2 ASP 49 2HB ASP 49 -19.313 18.910 -3.702 395 HB3 ASP 49 3HB ASP 49 -18.132 17.735 -3.130 396 H ILE 50 H ILE 50 -17.397 21.630 -4.434 397 HA ILE 50 HA ILE 50 -15.641 20.111 -6.216 398 HB ILE 50 HB ILE 50 -17.622 21.175 -7.214 399 HG12 ILE 50 2HG1 ILE 50 -15.888 22.842 -8.663 400 HG13 ILE 50 3HG1 ILE 50 -14.878 21.536 -8.052 401 HG21 ILE 50 1HG2 ILE 50 -18.223 23.299 -6.862 402 HG22 ILE 50 2HG2 ILE 50 -17.065 23.269 -5.533 403 HG23 ILE 50 3HG2 ILE 50 -16.582 23.897 -7.109 404 HD11 ILE 50 3HD1 ILE 50 -17.435 21.129 -9.580 405 HD12 ILE 50 1HD1 ILE 50 -15.824 21.117 -10.298 406 HD13 ILE 50 2HD1 ILE 50 -16.267 19.897 -9.104 407 H ARG 51 H ARG 51 -15.720 22.990 -4.222 408 HA ARG 51 HA ARG 51 -13.186 23.979 -5.165 409 HB2 ARG 51 2HB ARG 51 -13.598 25.833 -3.898 410 HB3 ARG 51 3HB ARG 51 -15.244 25.231 -4.035 411 HG2 ARG 51 2HG ARG 51 -13.425 24.611 -1.722 412 HG3 ARG 51 3HG ARG 51 -14.576 25.948 -1.744 413 HD2 ARG 51 2HD ARG 51 -16.424 24.470 -1.889 414 HD3 ARG 51 3HD ARG 51 -15.381 23.092 -2.235 415 HE ARG 51 HE ARG 51 -15.113 22.811 0.009 416 HH11 ARG 51 1HH1 ARG 51 -16.129 26.088 -0.582 417 HH12 ARG 51 2HH1 ARG 51 -16.271 26.485 1.098 418 HH21 ARG 51 1HH2 ARG 51 -15.297 23.322 2.225 419 HH22 ARG 51 2HH2 ARG 51 -15.797 24.911 2.694 420 H THR 52 H THR 52 -14.218 21.663 -2.892 421 HA THR 52 HA THR 52 -11.838 21.850 -1.238 422 HB THR 52 HB THR 52 -13.966 21.282 -0.163 423 HG1 THR 52 HG1 THR 52 -12.287 18.989 -0.113 424 HG21 THR 52 3HG2 THR 52 -14.550 19.830 -2.351 425 HG22 THR 52 1HG2 THR 52 -15.336 19.587 -0.791 426 HG23 THR 52 2HG2 THR 52 -13.999 18.544 -1.277 427 H LYS 53 H LYS 53 -13.109 19.903 -3.847 428 HA LYS 53 HA LYS 53 -10.788 18.112 -3.686 429 HB2 LYS 53 2HB LYS 53 -13.155 17.798 -5.524 430 HB3 LYS 53 3HB LYS 53 -11.991 16.574 -5.035 431 HG2 LYS 53 2HG LYS 53 -14.103 17.847 -3.310 432 HG3 LYS 53 3HG LYS 53 -14.075 16.188 -3.911 433 HD2 LYS 53 2HD LYS 53 -11.945 15.854 -2.641 434 HD3 LYS 53 3HD LYS 53 -12.186 17.450 -1.929 435 HE2 LYS 53 2HE LYS 53 -14.568 16.422 -1.374 436 HE3 LYS 53 3HE LYS 53 -13.663 14.913 -1.470 437 HZ1 LYS 53 3HZ LYS 53 -12.133 16.655 0.043 438 HZ2 LYS 53 1HZ LYS 53 -12.977 15.293 0.585 439 HZ3 LYS 53 2HZ LYS 53 -13.716 16.814 0.617 440 H TYR 54 H TYR 54 -12.357 20.492 -5.714 441 HA TYR 54 HA TYR 54 -10.038 20.387 -7.527 442 HB2 TYR 54 2HB TYR 54 -12.802 21.182 -8.426 443 HB3 TYR 54 3HB TYR 54 -11.408 20.774 -9.419 444 HD1 TYR 54 HD2 TYR 54 -10.473 18.295 -8.911 445 HD2 TYR 54 HD1 TYR 54 -14.472 19.605 -8.289 446 HE1 TYR 54 HE2 TYR 54 -11.252 15.966 -9.054 447 HE2 TYR 54 HE1 TYR 54 -15.262 17.280 -8.429 448 HH TYR 54 HH TYR 54 -14.198 14.947 -8.016 449 H GLY 55 H GLY 55 -10.463 22.021 -5.156 450 HA2 GLY 55 2HA GLY 55 -11.355 24.597 -5.627 451 HA3 GLY 55 3HA GLY 55 -10.051 24.190 -4.521 452 H ASP 56 H ASP 56 -8.575 23.036 -6.932 453 HA ASP 56 HA ASP 56 -6.939 25.260 -7.438 454 HB2 ASP 56 2HB ASP 56 -6.856 22.512 -7.974 455 HB3 ASP 56 3HB ASP 56 -6.782 23.288 -9.553 456 H LEU 57 H LEU 57 -9.279 23.631 -9.578 457 HA LEU 57 HA LEU 57 -9.090 25.751 -11.531 458 HB2 LEU 57 2HB LEU 57 -11.142 24.333 -12.437 459 HB3 LEU 57 3HB LEU 57 -9.468 23.835 -12.671 460 HG LEU 57 HG LEU 57 -10.861 22.823 -10.255 461 HD11 LEU 57 1HD1 LEU 57 -11.938 22.494 -12.902 462 HD12 LEU 57 2HD1 LEU 57 -12.565 21.925 -11.356 463 HD13 LEU 57 3HD1 LEU 57 -11.402 20.945 -12.250 464 HD21 LEU 57 3HD2 LEU 57 -9.479 20.933 -10.596 465 HD22 LEU 57 1HD2 LEU 57 -8.470 22.345 -10.911 466 HD23 LEU 57 2HD2 LEU 57 -9.117 21.406 -12.257 467 H VAL 58 H VAL 58 -11.242 24.775 -8.960 468 HA VAL 58 HA VAL 58 -13.550 26.164 -9.602 469 HB VAL 58 HB VAL 58 -12.329 25.711 -6.877 470 HG11 VAL 58 1HG1 VAL 58 -14.939 25.907 -6.356 471 HG12 VAL 58 2HG1 VAL 58 -13.850 27.294 -6.300 472 HG13 VAL 58 3HG1 VAL 58 -14.849 27.013 -7.726 473 HG21 VAL 58 3HG2 VAL 58 -13.549 23.962 -8.748 474 HG22 VAL 58 1HG2 VAL 58 -12.996 23.607 -7.111 475 HG23 VAL 58 2HG2 VAL 58 -14.651 24.151 -7.384 476 H ASP 59 H ASP 59 -10.635 27.330 -7.960 477 HA ASP 59 HA ASP 59 -11.691 29.994 -7.650 478 HB2 ASP 59 2HB ASP 59 -9.000 28.743 -7.122 479 HB3 ASP 59 3HB ASP 59 -9.269 30.476 -6.955 480 H ASP 60 H ASP 60 -10.781 28.400 -10.300 481 HA ASP 60 HA ASP 60 -9.437 30.715 -11.526 482 HB2 ASP 60 2HB ASP 60 -8.876 27.936 -11.644 483 HB3 ASP 60 3HB ASP 60 -9.425 28.425 -13.245 484 H PHE 61 H PHE 61 -12.321 28.894 -11.451 485 HA PHE 61 HA PHE 61 -13.204 29.957 -14.038 486 HB2 PHE 61 2HB PHE 61 -13.606 27.607 -13.839 487 HB3 PHE 61 3HB PHE 61 -14.328 27.803 -12.246 488 HD1 PHE 61 HD1 PHE 61 -14.817 28.434 -15.847 489 HD2 PHE 61 HD2 PHE 61 -16.617 28.315 -11.992 490 HE1 PHE 61 HE1 PHE 61 -17.042 28.613 -16.884 491 HE2 PHE 61 HE2 PHE 61 -18.844 28.493 -13.023 492 HZ PHE 61 HZ PHE 61 -19.059 28.642 -15.472 493 H GLU 62 H GLU 62 -14.670 29.448 -10.823 494 HA GLU 62 HA GLU 62 -16.731 31.303 -11.131 495 HB2 GLU 62 2HB GLU 62 -17.138 31.060 -8.824 496 HB3 GLU 62 3HB GLU 62 -16.460 29.519 -9.329 497 HG2 GLU 62 2HG GLU 62 -14.203 30.623 -8.585 498 HG3 GLU 62 3HG GLU 62 -15.271 31.649 -7.629 499 H LYS 63 H LYS 63 -13.429 31.710 -9.989 500 HA LYS 63 HA LYS 63 -13.744 34.382 -9.075 501 HB2 LYS 63 2HB LYS 63 -11.260 32.887 -9.935 502 HB3 LYS 63 3HB LYS 63 -11.265 34.440 -9.109 503 HG2 LYS 63 2HG LYS 63 -12.377 31.873 -7.995 504 HG3 LYS 63 3HG LYS 63 -10.809 32.574 -7.590 505 HD2 LYS 63 2HD LYS 63 -12.446 34.682 -7.122 506 HD3 LYS 63 3HD LYS 63 -13.512 33.337 -6.709 507 HE2 LYS 63 2HE LYS 63 -11.539 32.460 -5.324 508 HE3 LYS 63 3HE LYS 63 -10.864 34.079 -5.505 509 HZ1 LYS 63 3HZ LYS 63 -13.020 34.915 -4.575 510 HZ2 LYS 63 1HZ LYS 63 -12.054 34.054 -3.485 511 HZ3 LYS 63 2HZ LYS 63 -13.404 33.314 -4.185 512 H ASN 64 H ASN 64 -13.787 33.084 -12.151 513 HA ASN 64 HA ASN 64 -12.721 35.514 -13.401 514 HB2 ASN 64 2HB ASN 64 -13.269 32.739 -14.426 515 HB3 ASN 64 3HB ASN 64 -13.057 34.091 -15.535 516 HD21 ASN 64 1HD2 ASN 64 -11.440 33.402 -12.471 517 HD22 ASN 64 2HD2 ASN 64 -9.846 33.307 -13.131 518 H GLN 65 H GLN 65 -15.636 33.625 -12.995 519 HA GLN 65 HA GLN 65 -17.143 35.297 -14.830 520 HB2 GLN 65 2HB GLN 65 -19.027 33.836 -14.302 521 HB3 GLN 65 3HB GLN 65 -17.610 32.891 -14.739 522 HG2 GLN 65 2HG GLN 65 -17.849 31.742 -12.869 523 HG3 GLN 65 3HG GLN 65 -17.501 33.210 -11.957 524 HE21 GLN 65 1HE2 GLN 65 -19.294 34.555 -11.345 525 HE22 GLN 65 2HE2 GLN 65 -20.851 33.850 -11.091 526 H LYS 66 H LYS 66 -16.660 34.890 -11.395 527 HA LYS 66 HA LYS 66 -18.876 36.332 -10.455 528 HB2 LYS 66 2HB LYS 66 -16.158 35.743 -9.320 529 HB3 LYS 66 3HB LYS 66 -17.283 36.782 -8.456 530 HG2 LYS 66 2HG LYS 66 -17.770 33.924 -9.269 531 HG3 LYS 66 3HG LYS 66 -17.414 34.505 -7.641 532 HD2 LYS 66 2HD LYS 66 -19.490 35.956 -7.873 533 HD3 LYS 66 3HD LYS 66 -19.876 34.991 -9.300 534 HE2 LYS 66 2HE LYS 66 -19.546 32.967 -7.724 535 HE3 LYS 66 3HE LYS 66 -19.730 34.149 -6.428 536 HZ1 LYS 66 3HZ LYS 66 -21.739 34.248 -8.521 537 HZ2 LYS 66 1HZ LYS 66 -21.911 34.396 -6.844 538 HZ3 LYS 66 2HZ LYS 66 -21.770 32.864 -7.547 539 H LYS 67 H LYS 67 -16.097 37.370 -12.121 540 HA LYS 67 HA LYS 67 -15.266 39.412 -12.687 541 HB2 LYS 67 2HB LYS 67 -17.743 39.579 -13.356 542 HB3 LYS 67 3HB LYS 67 -17.938 40.563 -11.912 543 HG2 LYS 67 2HG LYS 67 -17.005 42.353 -12.865 544 HG3 LYS 67 3HG LYS 67 -15.716 41.404 -13.608 545 HD2 LYS 67 2HD LYS 67 -16.809 42.024 -15.502 546 HD3 LYS 67 3HD LYS 67 -17.752 40.581 -15.122 547 HE2 LYS 67 2HE LYS 67 -18.939 42.638 -13.658 548 HE3 LYS 67 3HE LYS 67 -18.575 43.347 -15.231 549 HZ1 LYS 67 3HZ LYS 67 -20.519 42.411 -15.793 550 HZ2 LYS 67 1HZ LYS 67 -20.485 41.287 -14.529 551 HZ3 LYS 67 2HZ LYS 67 -19.610 40.993 -15.947 Start of MODEL 4 1 H1 MET 1 H MET 1 6.903 30.673 -7.041 2 HA MET 1 HA MET 1 5.029 31.716 -8.886 3 HB2 MET 1 2HB MET 1 7.669 30.774 -9.957 4 HB3 MET 1 3HB MET 1 6.204 30.569 -10.908 5 HG2 MET 1 2HG MET 1 6.514 32.618 -11.675 6 HG3 MET 1 3HG MET 1 6.125 33.211 -10.062 7 HE1 MET 1 3HE MET 1 8.127 35.206 -11.767 8 HE2 MET 1 1HE MET 1 9.626 34.385 -12.207 9 HE3 MET 1 2HE MET 1 8.077 33.749 -12.762 10 H HIS 2 H HIS 2 7.083 28.946 -8.075 11 HA HIS 2 HA HIS 2 6.644 26.722 -7.864 12 HB2 HIS 2 2HB HIS 2 3.817 27.640 -7.306 13 HB3 HIS 2 3HB HIS 2 4.546 26.114 -6.814 14 HD1 HIS 2 HD1 HIS 2 7.170 27.118 -5.604 15 HD2 HIS 2 HD2 HIS 2 3.478 28.900 -4.924 16 HE1 HIS 2 HE1 HIS 2 7.412 28.360 -3.430 17 H HIS 3 H HIS 3 4.683 25.032 -8.506 18 HA HIS 3 HA HIS 3 3.326 25.518 -10.925 19 HB2 HIS 3 2HB HIS 3 4.747 24.036 -12.393 20 HB3 HIS 3 3HB HIS 3 5.452 25.603 -12.011 21 HD1 HIS 3 HD1 HIS 3 7.283 25.529 -9.996 22 HD2 HIS 3 HD2 HIS 3 6.355 21.919 -11.832 23 HE1 HIS 3 HE1 HIS 3 9.162 23.968 -9.399 24 H HIS 4 H HIS 4 1.625 24.339 -10.276 25 HA HIS 4 HA HIS 4 2.103 21.574 -9.389 26 HB2 HIS 4 2HB HIS 4 0.480 23.630 -8.321 27 HB3 HIS 4 3HB HIS 4 -0.613 22.418 -8.984 28 HD1 HIS 4 HD1 HIS 4 0.217 23.151 -5.873 29 HD2 HIS 4 HD2 HIS 4 1.106 19.746 -8.081 30 HE1 HIS 4 HE1 HIS 4 0.657 21.346 -4.178 31 H HIS 5 H HIS 5 -0.269 20.391 -9.809 32 HA HIS 5 HA HIS 5 -1.155 20.857 -12.530 33 HB2 HIS 5 2HB HIS 5 -0.713 18.435 -13.136 34 HB3 HIS 5 3HB HIS 5 0.709 19.470 -13.043 35 HD1 HIS 5 HD1 HIS 5 2.319 17.556 -12.525 36 HD2 HIS 5 HD2 HIS 5 -0.795 17.887 -9.795 37 HE1 HIS 5 HE1 HIS 5 2.944 16.053 -10.608 38 H HIS 6 H HIS 6 -2.828 19.102 -13.139 39 HA HIS 6 HA HIS 6 -4.453 18.528 -10.748 40 HB2 HIS 6 2HB HIS 6 -6.408 18.632 -12.382 41 HB3 HIS 6 3HB HIS 6 -5.624 20.161 -11.998 42 HD1 HIS 6 HD1 HIS 6 -6.004 17.663 -14.776 43 HD2 HIS 6 HD2 HIS 6 -4.404 21.443 -14.134 44 HE1 HIS 6 HE1 HIS 6 -5.449 18.554 -17.061 45 H HIS 7 H HIS 7 -2.984 17.262 -13.592 46 HA HIS 7 HA HIS 7 -2.748 15.145 -14.393 47 HB2 HIS 7 2HB HIS 7 -3.300 14.810 -11.558 48 HB3 HIS 7 3HB HIS 7 -3.880 13.441 -12.503 49 HD1 HIS 7 HD1 HIS 7 -1.097 14.225 -10.624 50 HD2 HIS 7 HD2 HIS 7 -1.533 12.839 -14.516 51 HE1 HIS 7 HE1 HIS 7 1.104 13.159 -11.208 52 H GLU 8 H GLU 8 -3.949 13.350 -15.310 53 HA GLU 8 HA GLU 8 -6.725 14.110 -15.826 54 HB2 GLU 8 2HB GLU 8 -5.152 11.954 -17.228 55 HB3 GLU 8 3HB GLU 8 -6.604 12.771 -17.790 56 HG2 GLU 8 2HG GLU 8 -3.921 14.082 -17.420 57 HG3 GLU 8 3HG GLU 8 -4.568 13.506 -18.955 58 H VAL 9 H VAL 9 -6.069 12.917 -13.305 59 HA VAL 9 HA VAL 9 -6.671 11.222 -11.896 60 HB VAL 9 HB VAL 9 -8.977 10.918 -13.823 61 HG11 VAL 9 1HG1 VAL 9 -8.461 9.253 -11.849 62 HG12 VAL 9 2HG1 VAL 9 -9.193 10.533 -10.879 63 HG13 VAL 9 3HG1 VAL 9 -10.108 9.783 -12.188 64 HG21 VAL 9 3HG2 VAL 9 -9.645 12.483 -11.546 65 HG22 VAL 9 1HG2 VAL 9 -8.201 13.173 -12.288 66 HG23 VAL 9 2HG2 VAL 9 -9.665 12.949 -13.247 67 HA PRO 10 HA PRO 10 -5.018 7.945 -14.791 68 HB2 PRO 10 2HB PRO 10 -2.750 7.473 -13.375 69 HB3 PRO 10 3HB PRO 10 -2.859 8.714 -14.629 70 HG2 PRO 10 2HG PRO 10 -3.047 9.003 -11.655 71 HG3 PRO 10 3HG PRO 10 -2.183 10.017 -12.825 72 HD2 PRO 10 2HD PRO 10 -4.589 10.709 -11.795 73 HD3 PRO 10 3HD PRO 10 -4.092 11.152 -13.440 74 H GLN 11 H GLN 11 -7.061 7.159 -13.498 75 HA GLN 11 HA GLN 11 -6.155 4.909 -11.861 76 HB2 GLN 11 2HB GLN 11 -8.332 6.851 -11.078 77 HB3 GLN 11 3HB GLN 11 -8.099 5.285 -10.314 78 HG2 GLN 11 2HG GLN 11 -6.638 6.186 -8.928 79 HG3 GLN 11 3HG GLN 11 -5.604 6.603 -10.294 80 HE21 GLN 11 1HE2 GLN 11 -5.943 8.664 -11.317 81 HE22 GLN 11 2HE2 GLN 11 -6.561 9.988 -10.395 82 H THR 12 H THR 12 -8.805 6.442 -13.630 83 HA THR 12 HA THR 12 -9.471 3.966 -14.915 84 HB THR 12 HB THR 12 -11.473 5.166 -12.992 85 HG1 THR 12 HG1 THR 12 -10.384 3.783 -11.766 86 HG21 THR 12 3HG2 THR 12 -11.740 3.189 -15.219 87 HG22 THR 12 1HG2 THR 12 -12.823 4.498 -14.747 88 HG23 THR 12 2HG2 THR 12 -12.749 3.023 -13.782 89 H PHE 13 H PHE 13 -10.419 7.289 -14.177 90 HA PHE 13 HA PHE 13 -11.716 7.528 -16.786 91 HB2 PHE 13 2HB PHE 13 -12.056 8.788 -14.210 92 HB3 PHE 13 3HB PHE 13 -11.821 10.004 -15.462 93 HD1 PHE 13 HD1 PHE 13 -13.984 7.320 -14.241 94 HD2 PHE 13 HD2 PHE 13 -13.442 10.314 -17.217 95 HE1 PHE 13 HE1 PHE 13 -16.338 7.071 -14.915 96 HE2 PHE 13 HE2 PHE 13 -15.795 10.071 -17.895 97 HZ PHE 13 HZ PHE 13 -17.246 8.449 -16.743 98 H GLU 14 H GLU 14 -11.352 10.030 -17.565 99 HA GLU 14 HA GLU 14 -8.605 10.865 -17.412 100 HB2 GLU 14 2HB GLU 14 -8.803 8.911 -19.133 101 HB3 GLU 14 3HB GLU 14 -9.533 10.131 -20.166 102 HG2 GLU 14 2HG GLU 14 -7.380 10.353 -20.821 103 HG3 GLU 14 3HG GLU 14 -7.372 11.487 -19.473 104 H VAL 15 H VAL 15 -10.164 12.571 -16.592 105 HA VAL 15 HA VAL 15 -11.475 14.105 -18.694 106 HB VAL 15 HB VAL 15 -11.323 14.829 -15.773 107 HG11 VAL 15 1HG1 VAL 15 -13.731 15.663 -16.689 108 HG12 VAL 15 2HG1 VAL 15 -12.280 16.665 -16.654 109 HG13 VAL 15 3HG1 VAL 15 -12.744 15.836 -18.140 110 HG21 VAL 15 3HG2 VAL 15 -12.422 12.907 -15.393 111 HG22 VAL 15 1HG2 VAL 15 -13.801 13.752 -16.097 112 HG23 VAL 15 2HG2 VAL 15 -12.819 12.681 -17.096 113 H GLU 16 H GLU 16 -11.087 16.398 -18.941 114 HA GLU 16 HA GLU 16 -8.268 16.999 -18.930 115 HB2 GLU 16 2HB GLU 16 -10.529 17.825 -20.423 116 HB3 GLU 16 3HB GLU 16 -9.869 19.262 -19.656 117 HG2 GLU 16 2HG GLU 16 -8.025 17.395 -21.060 118 HG3 GLU 16 3HG GLU 16 -9.033 18.489 -22.006 119 H ARG 17 H ARG 17 -11.071 18.908 -17.821 120 HA ARG 17 HA ARG 17 -10.085 19.316 -15.209 121 HB2 ARG 17 2HB ARG 17 -9.056 21.372 -15.268 122 HB3 ARG 17 3HB ARG 17 -8.527 20.712 -16.810 123 HG2 ARG 17 2HG ARG 17 -10.801 22.638 -16.379 124 HG3 ARG 17 3HG ARG 17 -9.219 23.012 -17.067 125 HD2 ARG 17 2HD ARG 17 -10.000 20.970 -18.664 126 HD3 ARG 17 3HD ARG 17 -11.558 21.704 -18.283 127 HE ARG 17 HE ARG 17 -10.976 23.535 -19.542 128 HH11 ARG 17 1HH1 ARG 17 -8.170 21.545 -19.004 129 HH12 ARG 17 2HH1 ARG 17 -7.178 22.412 -20.131 130 HH21 ARG 17 1HH2 ARG 17 -9.680 24.684 -21.028 131 HH22 ARG 17 2HH2 ARG 17 -8.038 24.197 -21.280 132 H ILE 18 H ILE 18 -11.333 21.041 -14.049 133 HA ILE 18 HA ILE 18 -14.097 20.807 -14.709 134 HB ILE 18 HB ILE 18 -12.833 22.615 -12.648 135 HG12 ILE 18 2HG1 ILE 18 -12.337 20.067 -12.562 136 HG13 ILE 18 3HG1 ILE 18 -12.898 20.869 -11.099 137 HG21 ILE 18 1HG2 ILE 18 -15.616 21.839 -13.312 138 HG22 ILE 18 2HG2 ILE 18 -15.196 21.991 -11.607 139 HG23 ILE 18 3HG2 ILE 18 -14.980 23.363 -12.693 140 HD11 ILE 18 3HD1 ILE 18 -14.800 19.499 -12.960 141 HD12 ILE 18 1HD1 ILE 18 -13.930 18.619 -11.704 142 HD13 ILE 18 2HD1 ILE 18 -15.025 19.931 -11.266 143 H VAL 19 H VAL 19 -14.982 21.914 -16.326 144 HA VAL 19 HA VAL 19 -13.958 24.250 -17.479 145 HB VAL 19 HB VAL 19 -16.859 23.428 -17.546 146 HG11 VAL 19 1HG1 VAL 19 -17.096 24.783 -19.351 147 HG12 VAL 19 2HG1 VAL 19 -15.776 25.648 -18.560 148 HG13 VAL 19 3HG1 VAL 19 -15.435 24.541 -19.890 149 HG21 VAL 19 3HG2 VAL 19 -14.520 22.023 -18.516 150 HG22 VAL 19 1HG2 VAL 19 -16.201 21.496 -18.440 151 HG23 VAL 19 2HG2 VAL 19 -15.631 22.428 -19.824 152 H ARG 20 H ARG 20 -16.797 23.881 -15.348 153 HA ARG 20 HA ARG 20 -16.215 26.331 -13.981 154 HB2 ARG 20 2HB ARG 20 -18.305 27.491 -14.609 155 HB3 ARG 20 3HB ARG 20 -17.213 27.291 -15.972 156 HG2 ARG 20 2HG ARG 20 -19.138 25.115 -15.678 157 HG3 ARG 20 3HG ARG 20 -19.872 26.693 -15.971 158 HD2 ARG 20 2HD ARG 20 -17.801 26.673 -17.759 159 HD3 ARG 20 3HD ARG 20 -18.304 24.983 -17.753 160 HE ARG 20 HE ARG 20 -20.646 26.248 -18.030 161 HH11 ARG 20 1HH1 ARG 20 -17.598 26.639 -19.667 162 HH12 ARG 20 2HH1 ARG 20 -18.316 27.158 -21.156 163 HH21 ARG 20 1HH2 ARG 20 -21.603 26.930 -19.985 164 HH22 ARG 20 2HH2 ARG 20 -20.594 27.324 -21.335 165 H LYS 21 H LYS 21 -18.523 26.925 -12.771 166 HA LYS 21 HA LYS 21 -19.870 24.520 -11.884 167 HB2 LYS 21 2HB LYS 21 -19.249 24.670 -9.580 168 HB3 LYS 21 3HB LYS 21 -17.764 24.649 -10.523 169 HG2 LYS 21 2HG LYS 21 -17.373 26.936 -10.162 170 HG3 LYS 21 3HG LYS 21 -19.020 27.209 -9.588 171 HD2 LYS 21 2HD LYS 21 -18.138 25.315 -7.839 172 HD3 LYS 21 3HD LYS 21 -16.657 26.221 -8.154 173 HE2 LYS 21 2HE LYS 21 -19.282 27.284 -7.129 174 HE3 LYS 21 3HE LYS 21 -17.744 27.216 -6.272 175 HZ1 LYS 21 3HZ LYS 21 -17.414 29.274 -6.997 176 HZ2 LYS 21 1HZ LYS 21 -18.726 29.205 -8.063 177 HZ3 LYS 21 2HZ LYS 21 -17.210 28.635 -8.550 178 H LYS 22 H LYS 22 -21.697 24.969 -10.495 179 HA LYS 22 HA LYS 22 -22.487 27.603 -9.822 180 HB2 LYS 22 2HB LYS 22 -24.138 28.087 -11.433 181 HB3 LYS 22 3HB LYS 22 -22.735 27.573 -12.362 182 HG2 LYS 22 2HG LYS 22 -24.164 26.237 -13.429 183 HG3 LYS 22 3HG LYS 22 -24.067 25.218 -11.991 184 HD2 LYS 22 2HD LYS 22 -26.263 25.491 -11.748 185 HD3 LYS 22 3HD LYS 22 -25.948 27.186 -11.369 186 HE2 LYS 22 2HE LYS 22 -26.074 27.704 -13.786 187 HE3 LYS 22 3HE LYS 22 -26.493 26.020 -14.098 188 HZ1 LYS 22 3HZ LYS 22 -28.586 26.338 -13.420 189 HZ2 LYS 22 1HZ LYS 22 -28.273 27.983 -13.659 190 HZ3 LYS 22 2HZ LYS 22 -28.141 27.313 -12.112 191 H ILE 23 H ILE 23 -24.342 27.639 -8.558 192 HA ILE 23 HA ILE 23 -25.449 24.985 -7.919 193 HB ILE 23 HB ILE 23 -25.719 25.607 -5.695 194 HG12 ILE 23 2HG1 ILE 23 -25.150 28.197 -5.190 195 HG13 ILE 23 3HG1 ILE 23 -25.831 28.353 -6.806 196 HG21 ILE 23 1HG2 ILE 23 -23.579 25.966 -4.993 197 HG22 ILE 23 2HG2 ILE 23 -23.270 25.611 -6.692 198 HG23 ILE 23 3HG2 ILE 23 -23.308 27.284 -6.134 199 HD11 ILE 23 3HD1 ILE 23 -27.192 28.143 -4.362 200 HD12 ILE 23 1HD1 ILE 23 -27.875 28.203 -5.987 201 HD13 ILE 23 2HD1 ILE 23 -27.500 26.648 -5.244 202 H VAL 24 H VAL 24 -27.679 24.779 -7.517 203 HA VAL 24 HA VAL 24 -29.367 27.054 -8.284 204 HB VAL 24 HB VAL 24 -30.288 24.428 -9.266 205 HG11 VAL 24 1HG1 VAL 24 -31.459 25.682 -10.744 206 HG12 VAL 24 2HG1 VAL 24 -31.163 26.944 -9.547 207 HG13 VAL 24 3HG1 VAL 24 -30.143 26.831 -10.981 208 HG21 VAL 24 3HG2 VAL 24 -28.900 24.596 -11.319 209 HG22 VAL 24 1HG2 VAL 24 -27.949 25.853 -10.528 210 HG23 VAL 24 2HG2 VAL 24 -27.968 24.216 -9.871 211 H HIS 25 H HIS 25 -30.915 27.379 -6.837 212 HA HIS 25 HA HIS 25 -32.329 27.078 -5.078 213 HB2 HIS 25 2HB HIS 25 -33.129 25.360 -6.977 214 HB3 HIS 25 3HB HIS 25 -32.735 24.203 -5.709 215 HD1 HIS 25 HD1 HIS 25 -34.274 24.117 -3.667 216 HD2 HIS 25 HD2 HIS 25 -35.319 27.052 -6.415 217 HE1 HIS 25 HE1 HIS 25 -36.554 24.913 -2.966 218 H GLY 26 H GLY 26 -29.438 26.356 -4.809 219 HA2 GLY 26 2HA GLY 26 -28.319 25.918 -2.775 220 HA3 GLY 26 3HA GLY 26 -29.712 24.991 -2.236 221 H ASN 27 H ASN 27 -28.822 24.242 -5.408 222 HA ASN 27 HA ASN 27 -27.423 21.828 -4.464 223 HB2 ASN 27 2HB ASN 27 -29.062 22.192 -6.983 224 HB3 ASN 27 3HB ASN 27 -28.278 20.701 -6.468 225 HD21 ASN 27 1HD2 ASN 27 -30.816 20.425 -6.944 226 HD22 ASN 27 2HD2 ASN 27 -31.761 20.358 -5.500 227 H THR 28 H THR 28 -25.301 22.165 -4.709 228 HA THR 28 HA THR 28 -24.168 23.836 -6.707 229 HB THR 28 HB THR 28 -22.588 21.698 -5.317 230 HG1 THR 28 HG1 THR 28 -22.475 23.122 -3.503 231 HG21 THR 28 3HG2 THR 28 -20.798 23.179 -5.510 232 HG22 THR 28 1HG2 THR 28 -21.852 24.580 -5.701 233 HG23 THR 28 2HG2 THR 28 -21.679 23.421 -7.019 234 H SER 29 H SER 29 -23.058 23.318 -8.579 235 HA SER 29 HA SER 29 -23.036 20.533 -9.460 236 HB2 SER 29 2HB SER 29 -24.233 22.745 -11.144 237 HB3 SER 29 3HB SER 29 -24.094 21.044 -11.587 238 HG SER 29 HG SER 29 -25.627 20.524 -10.113 239 H TYR 30 H TYR 30 -21.174 20.039 -10.415 240 HA TYR 30 HA TYR 30 -19.427 22.245 -11.265 241 HB2 TYR 30 2HB TYR 30 -18.901 19.519 -10.144 242 HB3 TYR 30 3HB TYR 30 -17.679 20.285 -11.153 243 HD1 TYR 30 HD1 TYR 30 -19.966 21.545 -8.472 244 HD2 TYR 30 HD2 TYR 30 -15.967 21.123 -9.860 245 HE1 TYR 30 HE1 TYR 30 -19.163 22.814 -6.524 246 HE2 TYR 30 HE2 TYR 30 -15.152 22.390 -7.915 247 HH TYR 30 HH TYR 30 -17.330 24.013 -5.737 248 H LEU 31 H LEU 31 -19.240 22.564 -13.372 249 HA LEU 31 HA LEU 31 -19.979 20.445 -15.233 250 HB2 LEU 31 2HB LEU 31 -20.883 22.748 -15.472 251 HB3 LEU 31 3HB LEU 31 -19.245 23.314 -15.797 252 HG LEU 31 HG LEU 31 -19.171 22.045 -17.851 253 HD11 LEU 31 1HD1 LEU 31 -21.432 20.681 -16.658 254 HD12 LEU 31 2HD1 LEU 31 -20.356 20.166 -17.956 255 HD13 LEU 31 3HD1 LEU 31 -21.754 21.178 -18.320 256 HD21 LEU 31 3HD2 LEU 31 -20.204 23.690 -18.934 257 HD22 LEU 31 1HD2 LEU 31 -20.793 24.249 -17.368 258 HD23 LEU 31 2HD2 LEU 31 -21.786 23.171 -18.349 259 H VAL 32 H VAL 32 -18.441 19.095 -15.872 260 HA VAL 32 HA VAL 32 -15.744 20.178 -16.373 261 HB VAL 32 HB VAL 32 -15.888 18.608 -14.413 262 HG11 VAL 32 1HG1 VAL 32 -17.585 17.098 -15.303 263 HG12 VAL 32 2HG1 VAL 32 -16.468 16.574 -16.565 264 HG13 VAL 32 3HG1 VAL 32 -16.119 16.217 -14.873 265 HG21 VAL 32 3HG2 VAL 32 -13.755 18.909 -15.358 266 HG22 VAL 32 1HG2 VAL 32 -13.963 17.161 -15.246 267 HG23 VAL 32 2HG2 VAL 32 -14.168 17.976 -16.796 268 H LYS 33 H LYS 33 -14.785 19.699 -18.284 269 HA LYS 33 HA LYS 33 -16.449 18.628 -20.374 270 HB2 LYS 33 2HB LYS 33 -14.519 19.154 -21.840 271 HB3 LYS 33 3HB LYS 33 -15.042 20.528 -20.874 272 HG2 LYS 33 2HG LYS 33 -13.207 20.017 -19.272 273 HG3 LYS 33 3HG LYS 33 -12.641 18.778 -20.395 274 HD2 LYS 33 2HD LYS 33 -11.353 20.728 -20.819 275 HD3 LYS 33 3HD LYS 33 -12.509 20.586 -22.146 276 HE2 LYS 33 2HE LYS 33 -13.975 22.206 -20.983 277 HE3 LYS 33 3HE LYS 33 -12.738 22.393 -19.741 278 HZ1 LYS 33 3HZ LYS 33 -11.211 23.042 -21.631 279 HZ2 LYS 33 1HZ LYS 33 -12.416 24.158 -21.222 280 HZ3 LYS 33 2HZ LYS 33 -12.598 23.180 -22.589 281 H TRP 34 H TRP 34 -14.809 17.292 -22.044 282 HA TRP 34 HA TRP 34 -13.935 14.948 -20.484 283 HB2 TRP 34 2HB TRP 34 -15.372 14.990 -23.146 284 HB3 TRP 34 3HB TRP 34 -14.693 13.546 -22.400 285 HD1 TRP 34 HD1 TRP 34 -15.782 14.588 -19.394 286 HE1 TRP 34 HE1 TRP 34 -18.257 14.115 -18.865 287 HE3 TRP 34 HE3 TRP 34 -17.508 13.880 -24.154 288 HZ2 TRP 34 HZ2 TRP 34 -20.626 13.520 -20.279 289 HZ3 TRP 34 HZ3 TRP 34 -19.891 13.362 -24.479 290 HH2 TRP 34 HH2 TRP 34 -21.416 13.186 -22.581 291 H LYS 35 H LYS 35 -11.788 15.788 -20.540 292 HA LYS 35 HA LYS 35 -9.679 16.031 -21.365 293 HB2 LYS 35 2HB LYS 35 -10.216 13.594 -21.882 294 HB3 LYS 35 3HB LYS 35 -10.528 14.114 -23.533 295 HG2 LYS 35 2HG LYS 35 -8.111 15.189 -23.219 296 HG3 LYS 35 3HG LYS 35 -7.971 13.854 -22.073 297 HD2 LYS 35 2HD LYS 35 -8.488 12.253 -23.784 298 HD3 LYS 35 3HD LYS 35 -8.865 13.537 -24.935 299 HE2 LYS 35 2HE LYS 35 -6.749 13.434 -25.610 300 HE3 LYS 35 3HE LYS 35 -6.287 14.103 -24.046 301 HZ1 LYS 35 3HZ LYS 35 -6.710 11.203 -24.364 302 HZ2 LYS 35 1HZ LYS 35 -5.782 12.023 -23.211 303 HZ3 LYS 35 2HZ LYS 35 -5.236 11.906 -24.807 304 H ASN 36 H ASN 36 -11.621 17.917 -22.282 305 HA ASN 36 HA ASN 36 -11.765 19.658 -23.739 306 HB2 ASN 36 2HB ASN 36 -9.033 18.721 -23.983 307 HB3 ASN 36 3HB ASN 36 -9.617 19.375 -25.511 308 HD21 ASN 36 1HD2 ASN 36 -9.970 20.189 -22.071 309 HD22 ASN 36 2HD2 ASN 36 -9.578 21.861 -22.254 310 H TYR 37 H TYR 37 -12.733 16.872 -24.367 311 HA TYR 37 HA TYR 37 -12.622 16.697 -27.245 312 HB2 TYR 37 2HB TYR 37 -12.710 14.639 -25.975 313 HB3 TYR 37 3HB TYR 37 -14.201 15.141 -25.187 314 HD1 TYR 37 HD2 TYR 37 -16.311 15.250 -26.498 315 HD2 TYR 37 HD1 TYR 37 -12.730 13.643 -28.140 316 HE1 TYR 37 HE2 TYR 37 -17.621 14.161 -28.272 317 HE2 TYR 37 HE1 TYR 37 -14.030 12.550 -29.920 318 HH TYR 37 HH TYR 37 -16.333 11.774 -30.306 319 H SER 38 H SER 38 -15.055 17.522 -24.802 320 HA SER 38 HA SER 38 -16.938 18.294 -26.895 321 HB2 SER 38 2HB SER 38 -18.198 18.888 -24.546 322 HB3 SER 38 3HB SER 38 -18.287 17.324 -25.355 323 HG SER 38 HG SER 38 -16.940 16.478 -23.917 324 H SER 39 H SER 39 -15.544 19.743 -23.949 325 HA SER 39 HA SER 39 -14.835 21.878 -23.532 326 HB2 SER 39 2HB SER 39 -15.633 22.809 -26.266 327 HB3 SER 39 3HB SER 39 -14.266 23.310 -25.270 328 HG SER 39 HG SER 39 -13.681 20.908 -25.648 329 H LYS 40 H LYS 40 -17.722 21.795 -25.610 330 HA LYS 40 HA LYS 40 -18.991 23.733 -23.793 331 HB2 LYS 40 2HB LYS 40 -20.471 24.318 -25.634 332 HB3 LYS 40 3HB LYS 40 -18.792 24.489 -26.128 333 HG2 LYS 40 2HG LYS 40 -19.676 23.442 -27.956 334 HG3 LYS 40 3HG LYS 40 -19.120 22.052 -27.021 335 HD2 LYS 40 2HD LYS 40 -21.193 21.248 -27.134 336 HD3 LYS 40 3HD LYS 40 -21.701 22.578 -26.091 337 HE2 LYS 40 2HE LYS 40 -21.510 22.800 -29.088 338 HE3 LYS 40 3HE LYS 40 -22.984 22.323 -28.246 339 HZ1 LYS 40 3HZ LYS 40 -21.918 24.920 -28.646 340 HZ2 LYS 40 1HZ LYS 40 -22.108 24.617 -26.993 341 HZ3 LYS 40 2HZ LYS 40 -23.430 24.470 -28.037 342 H ASP 41 H ASP 41 -19.128 20.537 -25.061 343 HA ASP 41 HA ASP 41 -21.871 20.108 -24.187 344 HB2 ASP 41 2HB ASP 41 -20.503 19.054 -26.258 345 HB3 ASP 41 3HB ASP 41 -20.206 17.811 -25.046 346 H ASN 42 H ASN 42 -19.343 20.580 -22.446 347 HA ASN 42 HA ASN 42 -18.609 18.407 -20.973 348 HB2 ASN 42 2HB ASN 42 -19.312 20.907 -19.487 349 HB3 ASN 42 3HB ASN 42 -17.893 19.876 -19.331 350 HD21 ASN 42 1HD2 ASN 42 -18.493 22.841 -19.929 351 HD22 ASN 42 2HD2 ASN 42 -17.425 23.197 -21.239 352 H THR 43 H THR 43 -19.310 17.594 -18.884 353 HA THR 43 HA THR 43 -22.240 17.468 -18.729 354 HB THR 43 HB THR 43 -21.259 15.556 -16.977 355 HG1 THR 43 HG1 THR 43 -19.153 15.865 -17.880 356 HG21 THR 43 3HG2 THR 43 -21.980 13.949 -18.700 357 HG22 THR 43 1HG2 THR 43 -22.042 15.258 -19.880 358 HG23 THR 43 2HG2 THR 43 -23.138 15.263 -18.498 359 H TRP 44 H TRP 44 -23.311 17.635 -16.720 360 HA TRP 44 HA TRP 44 -21.861 19.284 -14.776 361 HB2 TRP 44 2HB TRP 44 -24.784 18.954 -15.419 362 HB3 TRP 44 3HB TRP 44 -24.252 19.718 -13.923 363 HD1 TRP 44 HD1 TRP 44 -24.478 20.314 -17.675 364 HE1 TRP 44 HE1 TRP 44 -23.952 22.787 -18.161 365 HE3 TRP 44 HE3 TRP 44 -22.893 21.734 -13.027 366 HZ2 TRP 44 HZ2 TRP 44 -22.992 25.041 -16.759 367 HZ3 TRP 44 HZ3 TRP 44 -22.187 24.066 -12.683 368 HH2 TRP 44 HH2 TRP 44 -22.236 25.683 -14.511 369 H GLU 45 H GLU 45 -21.160 18.351 -12.980 370 HA GLU 45 HA GLU 45 -22.681 16.076 -11.890 371 HB2 GLU 45 2HB GLU 45 -19.701 16.443 -12.129 372 HB3 GLU 45 3HB GLU 45 -20.409 15.310 -10.986 373 HG2 GLU 45 2HG GLU 45 -21.441 15.039 -13.703 374 HG3 GLU 45 3HG GLU 45 -19.709 14.742 -13.560 375 H THR 46 H THR 46 -23.427 16.390 -9.906 376 HA THR 46 HA THR 46 -23.343 18.671 -8.451 377 HB THR 46 HB THR 46 -23.400 16.860 -6.406 378 HG1 THR 46 HG1 THR 46 -23.143 15.312 -8.398 379 HG21 THR 46 3HG2 THR 46 -25.851 16.874 -6.712 380 HG22 THR 46 1HG2 THR 46 -25.629 17.557 -8.322 381 HG23 THR 46 2HG2 THR 46 -25.144 18.478 -6.899 382 H GLU 47 H GLU 47 -22.192 19.424 -6.614 383 HA GLU 47 HA GLU 47 -19.401 19.258 -6.820 384 HB2 GLU 47 2HB GLU 47 -20.218 21.219 -5.838 385 HB3 GLU 47 3HB GLU 47 -21.262 20.341 -4.728 386 HG2 GLU 47 2HG GLU 47 -19.339 19.604 -3.455 387 HG3 GLU 47 3HG GLU 47 -18.256 20.399 -4.595 388 H ASP 48 H ASP 48 -21.660 17.219 -5.261 389 HA ASP 48 HA ASP 48 -19.622 16.032 -3.528 390 HB2 ASP 48 2HB ASP 48 -22.531 16.220 -3.477 391 HB3 ASP 48 3HB ASP 48 -21.962 14.578 -3.187 392 H ASP 49 H ASP 49 -20.590 15.724 -6.637 393 HA ASP 49 HA ASP 49 -19.939 12.850 -6.689 394 HB2 ASP 49 2HB ASP 49 -22.346 13.776 -7.396 395 HB3 ASP 49 3HB ASP 49 -21.508 14.028 -8.925 396 H ILE 50 H ILE 50 -18.929 15.904 -7.497 397 HA ILE 50 HA ILE 50 -17.514 15.069 -9.919 398 HB ILE 50 HB ILE 50 -18.682 17.246 -9.952 399 HG12 ILE 50 2HG1 ILE 50 -16.220 18.496 -10.292 400 HG13 ILE 50 3HG1 ILE 50 -15.868 16.791 -10.550 401 HG21 ILE 50 1HG2 ILE 50 -17.803 17.551 -7.407 402 HG22 ILE 50 2HG2 ILE 50 -16.668 18.578 -8.281 403 HG23 ILE 50 3HG2 ILE 50 -18.402 18.866 -8.418 404 HD11 ILE 50 3HD1 ILE 50 -17.932 18.431 -11.998 405 HD12 ILE 50 1HD1 ILE 50 -16.391 17.863 -12.642 406 HD13 ILE 50 2HD1 ILE 50 -17.657 16.705 -12.231 407 H ARG 51 H ARG 51 -16.954 16.062 -6.600 408 HA ARG 51 HA ARG 51 -14.090 16.146 -6.889 409 HB2 ARG 51 2HB ARG 51 -14.065 17.046 -4.809 410 HB3 ARG 51 3HB ARG 51 -15.775 17.299 -5.130 411 HG2 ARG 51 2HG ARG 51 -14.708 14.857 -3.742 412 HG3 ARG 51 3HG ARG 51 -15.219 16.316 -2.891 413 HD2 ARG 51 2HD ARG 51 -17.360 15.889 -4.487 414 HD3 ARG 51 3HD ARG 51 -16.820 14.232 -4.218 415 HE ARG 51 HE ARG 51 -17.662 14.385 -2.111 416 HH11 ARG 51 1HH1 ARG 51 -16.960 17.601 -3.245 417 HH12 ARG 51 2HH1 ARG 51 -17.593 18.378 -1.832 418 HH21 ARG 51 1HH2 ARG 51 -18.498 15.396 -0.245 419 HH22 ARG 51 2HH2 ARG 51 -18.466 17.123 -0.125 420 H THR 52 H THR 52 -16.430 13.730 -6.359 421 HA THR 52 HA THR 52 -14.616 11.910 -5.005 422 HB THR 52 HB THR 52 -16.994 11.888 -4.389 423 HG1 THR 52 HG1 THR 52 -16.789 9.809 -4.046 424 HG21 THR 52 3HG2 THR 52 -17.751 10.533 -6.919 425 HG22 THR 52 1HG2 THR 52 -17.585 12.288 -6.958 426 HG23 THR 52 2HG2 THR 52 -18.720 11.534 -5.838 427 H LYS 53 H LYS 53 -15.881 12.498 -8.207 428 HA LYS 53 HA LYS 53 -14.540 10.090 -9.217 429 HB2 LYS 53 2HB LYS 53 -16.353 11.922 -10.781 430 HB3 LYS 53 3HB LYS 53 -15.880 10.274 -11.173 431 HG2 LYS 53 2HG LYS 53 -17.692 11.150 -8.935 432 HG3 LYS 53 3HG LYS 53 -18.152 10.287 -10.405 433 HD2 LYS 53 2HD LYS 53 -16.678 8.412 -9.685 434 HD3 LYS 53 3HD LYS 53 -16.410 9.265 -8.164 435 HE2 LYS 53 2HE LYS 53 -18.192 8.141 -7.416 436 HE3 LYS 53 3HE LYS 53 -19.144 9.269 -8.380 437 HZ1 LYS 53 3HZ LYS 53 -19.872 7.529 -9.515 438 HZ2 LYS 53 1HZ LYS 53 -18.810 6.479 -8.720 439 HZ3 LYS 53 2HZ LYS 53 -18.309 7.291 -10.116 440 H TYR 54 H TYR 54 -14.570 13.586 -9.434 441 HA TYR 54 HA TYR 54 -12.108 13.444 -11.046 442 HB2 TYR 54 2HB TYR 54 -14.022 15.761 -11.195 443 HB3 TYR 54 3HB TYR 54 -12.742 15.320 -12.320 444 HD1 TYR 54 HD2 TYR 54 -13.061 12.953 -13.464 445 HD2 TYR 54 HD1 TYR 54 -16.204 15.261 -11.762 446 HE1 TYR 54 HE2 TYR 54 -14.693 11.743 -14.851 447 HE2 TYR 54 HE1 TYR 54 -17.845 14.056 -13.142 448 HH TYR 54 HH TYR 54 -17.872 12.780 -15.276 449 H GLY 55 H GLY 55 -12.425 13.530 -8.148 450 HA2 GLY 55 2HA GLY 55 -12.107 16.022 -6.991 451 HA3 GLY 55 3HA GLY 55 -11.369 14.549 -6.380 452 H ASP 56 H ASP 56 -9.924 14.345 -9.062 453 HA ASP 56 HA ASP 56 -7.485 15.457 -8.232 454 HB2 ASP 56 2HB ASP 56 -8.250 13.670 -10.165 455 HB3 ASP 56 3HB ASP 56 -7.762 15.060 -11.130 456 H LEU 57 H LEU 57 -9.684 16.506 -10.834 457 HA LEU 57 HA LEU 57 -8.227 18.977 -11.176 458 HB2 LEU 57 2HB LEU 57 -10.370 19.387 -12.677 459 HB3 LEU 57 3HB LEU 57 -9.025 18.381 -13.209 460 HG LEU 57 HG LEU 57 -11.253 17.025 -11.797 461 HD11 LEU 57 1HD1 LEU 57 -12.000 16.994 -14.477 462 HD12 LEU 57 2HD1 LEU 57 -11.675 18.688 -14.114 463 HD13 LEU 57 3HD1 LEU 57 -12.842 17.788 -13.146 464 HD21 LEU 57 3HD2 LEU 57 -9.655 16.331 -14.258 465 HD22 LEU 57 1HD2 LEU 57 -10.732 15.262 -13.359 466 HD23 LEU 57 2HD2 LEU 57 -9.243 15.843 -12.614 467 H VAL 58 H VAL 58 -11.133 17.876 -9.587 468 HA VAL 58 HA VAL 58 -12.507 20.251 -9.216 469 HB VAL 58 HB VAL 58 -12.237 17.924 -7.308 470 HG11 VAL 58 1HG1 VAL 58 -13.154 19.394 -5.857 471 HG12 VAL 58 2HG1 VAL 58 -13.751 20.452 -7.137 472 HG13 VAL 58 3HG1 VAL 58 -14.635 18.983 -6.721 473 HG21 VAL 58 3HG2 VAL 58 -13.532 18.193 -9.810 474 HG22 VAL 58 1HG2 VAL 58 -13.593 16.835 -8.687 475 HG23 VAL 58 2HG2 VAL 58 -14.784 18.130 -8.570 476 H ASP 59 H ASP 59 -9.830 18.908 -7.329 477 HA ASP 59 HA ASP 59 -9.830 21.105 -5.466 478 HB2 ASP 59 2HB ASP 59 -8.023 18.735 -5.905 479 HB3 ASP 59 3HB ASP 59 -7.614 20.007 -4.757 480 H ASP 60 H ASP 60 -9.017 20.997 -8.591 481 HA ASP 60 HA ASP 60 -6.672 22.750 -8.286 482 HB2 ASP 60 2HB ASP 60 -6.581 20.593 -9.720 483 HB3 ASP 60 3HB ASP 60 -7.530 21.510 -10.887 484 H PHE 61 H PHE 61 -9.963 22.642 -9.170 485 HA PHE 61 HA PHE 61 -9.782 25.193 -10.609 486 HB2 PHE 61 2HB PHE 61 -11.045 23.546 -11.813 487 HB3 PHE 61 3HB PHE 61 -12.004 23.159 -10.388 488 HD1 PHE 61 HD1 PHE 61 -11.358 25.719 -12.960 489 HD2 PHE 61 HD2 PHE 61 -13.916 24.427 -9.813 490 HE1 PHE 61 HE1 PHE 61 -13.039 27.377 -13.651 491 HE2 PHE 61 HE2 PHE 61 -15.602 26.083 -10.499 492 HZ PHE 61 HZ PHE 61 -15.165 27.560 -12.421 493 H GLU 62 H GLU 62 -12.061 23.714 -8.294 494 HA GLU 62 HA GLU 62 -13.157 26.101 -7.370 495 HB2 GLU 62 2HB GLU 62 -14.178 24.844 -5.675 496 HB3 GLU 62 3HB GLU 62 -13.958 23.695 -6.987 497 HG2 GLU 62 2HG GLU 62 -11.721 23.162 -5.741 498 HG3 GLU 62 3HG GLU 62 -12.566 23.866 -4.364 499 H LYS 63 H LYS 63 -10.277 24.369 -6.355 500 HA LYS 63 HA LYS 63 -9.803 25.899 -4.004 501 HB2 LYS 63 2HB LYS 63 -7.925 24.238 -5.693 502 HB3 LYS 63 3HB LYS 63 -7.516 24.919 -4.124 503 HG2 LYS 63 2HG LYS 63 -9.710 22.922 -4.646 504 HG3 LYS 63 3HG LYS 63 -8.120 22.558 -3.970 505 HD2 LYS 63 2HD LYS 63 -10.183 24.386 -2.739 506 HD3 LYS 63 3HD LYS 63 -9.829 22.737 -2.221 507 HE2 LYS 63 2HE LYS 63 -8.410 23.708 -0.784 508 HE3 LYS 63 3HE LYS 63 -7.352 23.875 -2.184 509 HZ1 LYS 63 3HZ LYS 63 -7.546 26.070 -2.112 510 HZ2 LYS 63 1HZ LYS 63 -8.321 25.904 -0.617 511 HZ3 LYS 63 2HZ LYS 63 -9.235 26.006 -2.036 512 H ASN 64 H ASN 64 -9.576 26.662 -7.263 513 HA ASN 64 HA ASN 64 -7.468 28.655 -6.847 514 HB2 ASN 64 2HB ASN 64 -8.745 27.477 -9.304 515 HB3 ASN 64 3HB ASN 64 -7.809 28.966 -9.392 516 HD21 ASN 64 1HD2 ASN 64 -7.299 26.076 -7.425 517 HD22 ASN 64 2HD2 ASN 64 -5.744 25.695 -8.074 518 H GLN 65 H GLN 65 -10.843 28.357 -7.865 519 HA GLN 65 HA GLN 65 -11.158 31.228 -8.061 520 HB2 GLN 65 2HB GLN 65 -13.374 30.786 -8.814 521 HB3 GLN 65 3HB GLN 65 -12.330 29.591 -9.572 522 HG2 GLN 65 2HG GLN 65 -14.032 28.244 -8.917 523 HG3 GLN 65 3HG GLN 65 -13.025 28.159 -7.473 524 HE21 GLN 65 1HE2 GLN 65 -14.719 27.709 -6.105 525 HE22 GLN 65 2HE2 GLN 65 -15.928 28.872 -5.695 526 H LYS 66 H LYS 66 -11.086 29.058 -5.564 527 HA LYS 66 HA LYS 66 -13.234 29.736 -3.930 528 HB2 LYS 66 2HB LYS 66 -11.738 29.060 -2.038 529 HB3 LYS 66 3HB LYS 66 -11.833 27.884 -3.342 530 HG2 LYS 66 2HG LYS 66 -9.582 27.909 -2.896 531 HG3 LYS 66 3HG LYS 66 -9.694 29.078 -4.214 532 HD2 LYS 66 2HD LYS 66 -9.005 30.760 -2.911 533 HD3 LYS 66 3HD LYS 66 -10.085 30.290 -1.596 534 HE2 LYS 66 2HE LYS 66 -8.504 28.620 -0.848 535 HE3 LYS 66 3HE LYS 66 -7.450 28.961 -2.220 536 HZ1 LYS 66 3HZ LYS 66 -7.095 31.182 -1.365 537 HZ2 LYS 66 1HZ LYS 66 -6.679 30.037 -0.191 538 HZ3 LYS 66 2HZ LYS 66 -8.136 30.886 -0.065 539 H LYS 67 H LYS 67 -10.344 31.500 -4.691 540 HA LYS 67 HA LYS 67 -10.806 33.434 -2.557 541 HB2 LYS 67 2HB LYS 67 -8.503 32.749 -2.978 542 HB3 LYS 67 3HB LYS 67 -8.634 33.265 -4.654 543 HG2 LYS 67 2HG LYS 67 -8.656 35.527 -4.080 544 HG3 LYS 67 3HG LYS 67 -9.050 35.187 -2.393 545 HD2 LYS 67 2HD LYS 67 -6.630 33.849 -2.957 546 HD3 LYS 67 3HD LYS 67 -6.483 35.477 -3.622 547 HE2 LYS 67 2HE LYS 67 -7.083 36.437 -1.479 548 HE3 LYS 67 3HE LYS 67 -7.347 34.829 -0.805 549 HZ1 LYS 67 3HZ LYS 67 -5.025 34.338 -1.066 550 HZ2 LYS 67 1HZ LYS 67 -5.180 35.784 -0.201 551 HZ3 LYS 67 2HZ LYS 67 -4.743 35.818 -1.834 Start of MODEL 5 1 H1 MET 1 H MET 1 4.613 -6.729 -21.581 2 HA MET 1 HA MET 1 7.154 -6.113 -21.876 3 HB2 MET 1 2HB MET 1 6.004 -6.411 -24.644 4 HB3 MET 1 3HB MET 1 7.398 -5.388 -24.323 5 HG2 MET 1 2HG MET 1 8.761 -7.175 -23.804 6 HG3 MET 1 3HG MET 1 7.403 -8.232 -23.426 7 HE1 MET 1 3HE MET 1 8.751 -5.986 -26.166 8 HE2 MET 1 1HE MET 1 8.588 -6.914 -27.658 9 HE3 MET 1 2HE MET 1 7.168 -6.170 -26.923 10 H HIS 2 H HIS 2 3.965 -5.208 -22.987 11 HA HIS 2 HA HIS 2 4.586 -2.374 -22.943 12 HB2 HIS 2 2HB HIS 2 1.914 -3.739 -23.330 13 HB3 HIS 2 3HB HIS 2 2.284 -2.048 -23.657 14 HD1 HIS 2 HD1 HIS 2 4.646 -2.063 -25.396 15 HD2 HIS 2 HD2 HIS 2 1.731 -5.007 -25.697 16 HE1 HIS 2 HE1 HIS 2 4.887 -3.013 -27.712 17 H HIS 3 H HIS 3 3.852 -0.897 -21.450 18 HA HIS 3 HA HIS 3 2.010 -1.455 -19.391 19 HB2 HIS 3 2HB HIS 3 3.449 -1.664 -17.472 20 HB3 HIS 3 3HB HIS 3 3.899 -2.910 -18.632 21 HD1 HIS 3 HD1 HIS 3 6.039 -2.146 -20.220 22 HD2 HIS 3 HD2 HIS 3 5.564 -0.257 -16.550 23 HE1 HIS 3 HE1 HIS 3 8.279 -1.134 -19.690 24 H HIS 4 H HIS 4 1.896 0.301 -17.784 25 HA HIS 4 HA HIS 4 3.108 2.786 -18.804 26 HB2 HIS 4 2HB HIS 4 1.003 3.903 -17.887 27 HB3 HIS 4 3HB HIS 4 0.813 2.944 -19.353 28 HD1 HIS 4 HD1 HIS 4 -0.428 3.286 -15.930 29 HD2 HIS 4 HD2 HIS 4 -0.413 0.355 -18.875 30 HE1 HIS 4 HE1 HIS 4 -2.173 1.617 -15.227 31 H HIS 5 H HIS 5 3.533 4.441 -17.244 32 HA HIS 5 HA HIS 5 4.314 3.335 -14.670 33 HB2 HIS 5 2HB HIS 5 5.045 5.732 -16.269 34 HB3 HIS 5 3HB HIS 5 5.182 5.865 -14.519 35 HD1 HIS 5 HD1 HIS 5 7.274 5.255 -17.200 36 HD2 HIS 5 HD2 HIS 5 6.631 3.221 -13.634 37 HE1 HIS 5 HE1 HIS 5 9.342 3.873 -16.832 38 H HIS 6 H HIS 6 2.973 6.525 -15.506 39 HA HIS 6 HA HIS 6 0.600 6.257 -14.018 40 HB2 HIS 6 2HB HIS 6 1.286 7.890 -12.162 41 HB3 HIS 6 3HB HIS 6 1.833 6.223 -12.011 42 HD1 HIS 6 HD1 HIS 6 3.578 8.626 -14.297 43 HD2 HIS 6 HD2 HIS 6 4.095 6.923 -10.543 44 HE1 HIS 6 HE1 HIS 6 5.936 9.184 -13.625 45 H HIS 7 H HIS 7 -0.207 8.622 -13.383 46 HA HIS 7 HA HIS 7 0.253 10.252 -15.782 47 HB2 HIS 7 2HB HIS 7 -2.078 9.978 -13.901 48 HB3 HIS 7 3HB HIS 7 -1.927 11.378 -14.960 49 HD1 HIS 7 HD1 HIS 7 -3.013 7.879 -14.903 50 HD2 HIS 7 HD2 HIS 7 -1.997 10.704 -17.775 51 HE1 HIS 7 HE1 HIS 7 -3.898 6.977 -17.077 52 H GLU 8 H GLU 8 1.058 10.115 -12.545 53 HA GLU 8 HA GLU 8 2.084 11.567 -11.125 54 HB2 GLU 8 2HB GLU 8 2.237 13.494 -13.441 55 HB3 GLU 8 3HB GLU 8 3.276 13.434 -12.024 56 HG2 GLU 8 2HG GLU 8 3.460 10.912 -13.239 57 HG3 GLU 8 3HG GLU 8 3.557 12.101 -14.537 58 H VAL 9 H VAL 9 -0.481 11.521 -10.680 59 HA VAL 9 HA VAL 9 -1.202 14.338 -10.248 60 HB VAL 9 HB VAL 9 -3.535 12.630 -10.573 61 HG11 VAL 9 1HG1 VAL 9 -3.991 14.887 -10.532 62 HG12 VAL 9 2HG1 VAL 9 -2.578 15.300 -11.505 63 HG13 VAL 9 3HG1 VAL 9 -3.990 14.564 -12.265 64 HG21 VAL 9 3HG2 VAL 9 -2.315 11.449 -12.230 65 HG22 VAL 9 1HG2 VAL 9 -3.345 12.594 -13.089 66 HG23 VAL 9 2HG2 VAL 9 -1.627 12.935 -12.883 67 HA PRO 10 HA PRO 10 -1.689 13.003 -6.069 68 HB2 PRO 10 2HB PRO 10 -3.086 15.141 -5.148 69 HB3 PRO 10 3HB PRO 10 -1.354 15.203 -5.497 70 HG2 PRO 10 2HG PRO 10 -3.657 16.126 -7.171 71 HG3 PRO 10 3HG PRO 10 -2.105 16.926 -6.866 72 HD2 PRO 10 2HD PRO 10 -2.612 15.552 -9.143 73 HD3 PRO 10 3HD PRO 10 -0.992 15.640 -8.421 74 H GLN 11 H GLN 11 -4.102 13.094 -8.346 75 HA GLN 11 HA GLN 11 -5.978 11.795 -6.511 76 HB2 GLN 11 2HB GLN 11 -6.525 14.185 -8.227 77 HB3 GLN 11 3HB GLN 11 -7.810 13.020 -7.937 78 HG2 GLN 11 2HG GLN 11 -8.263 14.139 -6.083 79 HG3 GLN 11 3HG GLN 11 -6.758 13.500 -5.424 80 HE21 GLN 11 1HE2 GLN 11 -4.978 14.818 -5.264 81 HE22 GLN 11 2HE2 GLN 11 -5.049 16.527 -5.505 82 H THR 12 H THR 12 -4.184 10.648 -8.382 83 HA THR 12 HA THR 12 -4.232 8.892 -9.848 84 HB THR 12 HB THR 12 -7.176 9.256 -10.313 85 HG1 THR 12 HG1 THR 12 -6.239 7.658 -8.191 86 HG21 THR 12 3HG2 THR 12 -6.200 7.563 -11.657 87 HG22 THR 12 1HG2 THR 12 -7.017 6.726 -10.338 88 HG23 THR 12 2HG2 THR 12 -5.265 6.927 -10.304 89 H PHE 13 H PHE 13 -6.662 11.284 -10.910 90 HA PHE 13 HA PHE 13 -5.089 11.673 -13.359 91 HB2 PHE 13 2HB PHE 13 -7.256 11.824 -14.629 92 HB3 PHE 13 3HB PHE 13 -6.860 10.212 -14.042 93 HD1 PHE 13 HD1 PHE 13 -8.790 13.246 -13.072 94 HD2 PHE 13 HD2 PHE 13 -8.461 9.005 -12.908 95 HE1 PHE 13 HE1 PHE 13 -10.978 13.123 -11.954 96 HE2 PHE 13 HE2 PHE 13 -10.649 8.875 -11.790 97 HZ PHE 13 HZ PHE 13 -11.911 10.935 -11.312 98 H GLU 14 H GLU 14 -5.559 13.701 -14.473 99 HA GLU 14 HA GLU 14 -6.332 15.791 -12.556 100 HB2 GLU 14 2HB GLU 14 -4.073 15.527 -14.180 101 HB3 GLU 14 3HB GLU 14 -5.048 16.760 -14.967 102 HG2 GLU 14 2HG GLU 14 -4.698 17.011 -12.045 103 HG3 GLU 14 3HG GLU 14 -3.278 17.300 -13.049 104 H VAL 15 H VAL 15 -7.576 17.594 -13.293 105 HA VAL 15 HA VAL 15 -9.378 16.887 -15.511 106 HB VAL 15 HB VAL 15 -9.941 18.860 -13.299 107 HG11 VAL 15 1HG1 VAL 15 -12.329 17.906 -14.175 108 HG12 VAL 15 2HG1 VAL 15 -11.570 19.390 -14.753 109 HG13 VAL 15 3HG1 VAL 15 -11.383 17.890 -15.663 110 HG21 VAL 15 3HG2 VAL 15 -9.927 17.010 -11.994 111 HG22 VAL 15 1HG2 VAL 15 -11.530 16.786 -12.695 112 HG23 VAL 15 2HG2 VAL 15 -10.148 15.913 -13.357 113 H GLU 16 H GLU 16 -10.030 18.489 -16.992 114 HA GLU 16 HA GLU 16 -7.995 20.280 -17.785 115 HB2 GLU 16 2HB GLU 16 -10.439 19.290 -18.855 116 HB3 GLU 16 3HB GLU 16 -10.487 21.044 -18.948 117 HG2 GLU 16 2HG GLU 16 -8.052 19.600 -19.874 118 HG3 GLU 16 3HG GLU 16 -9.486 19.637 -20.898 119 H ARG 17 H ARG 17 -11.354 21.161 -16.986 120 HA ARG 17 HA ARG 17 -10.687 23.056 -15.009 121 HB2 ARG 17 2HB ARG 17 -10.640 25.081 -16.095 122 HB3 ARG 17 3HB ARG 17 -9.860 24.065 -17.300 123 HG2 ARG 17 2HG ARG 17 -12.751 24.909 -17.285 124 HG3 ARG 17 3HG ARG 17 -11.479 25.535 -18.336 125 HD2 ARG 17 2HD ARG 17 -11.270 22.869 -18.791 126 HD3 ARG 17 3HD ARG 17 -13.000 23.024 -18.488 127 HE ARG 17 HE ARG 17 -13.212 24.072 -20.505 128 HH11 ARG 17 1HH1 ARG 17 -9.867 24.153 -19.544 129 HH12 ARG 17 2HH1 ARG 17 -9.317 24.821 -21.045 130 HH21 ARG 17 1HH2 ARG 17 -12.500 24.952 -22.486 131 HH22 ARG 17 2HH2 ARG 17 -10.815 25.276 -22.717 132 H ILE 18 H ILE 18 -12.576 24.458 -14.446 133 HA ILE 18 HA ILE 18 -14.952 22.894 -14.428 134 HB ILE 18 HB ILE 18 -14.635 25.783 -13.608 135 HG12 ILE 18 2HG1 ILE 18 -13.089 23.990 -12.539 136 HG13 ILE 18 3HG1 ILE 18 -13.968 25.088 -11.481 137 HG21 ILE 18 1HG2 ILE 18 -16.943 25.221 -13.825 138 HG22 ILE 18 2HG2 ILE 18 -16.710 23.695 -12.972 139 HG23 ILE 18 3HG2 ILE 18 -16.555 25.223 -12.105 140 HD11 ILE 18 3HD1 ILE 18 -15.083 22.405 -12.192 141 HD12 ILE 18 1HD1 ILE 18 -13.910 22.599 -10.889 142 HD13 ILE 18 2HD1 ILE 18 -15.460 23.438 -10.814 143 H VAL 19 H VAL 19 -16.206 22.674 -16.159 144 HA VAL 19 HA VAL 19 -16.280 24.387 -18.370 145 HB VAL 19 HB VAL 19 -18.536 22.574 -17.520 146 HG11 VAL 19 1HG1 VAL 19 -19.331 22.736 -19.634 147 HG12 VAL 19 2HG1 VAL 19 -18.498 24.291 -19.576 148 HG13 VAL 19 3HG1 VAL 19 -17.726 22.902 -20.343 149 HG21 VAL 19 3HG2 VAL 19 -17.115 21.078 -19.258 150 HG22 VAL 19 1HG2 VAL 19 -15.811 21.946 -18.448 151 HG23 VAL 19 2HG2 VAL 19 -16.942 20.975 -17.506 152 H ARG 20 H ARG 20 -18.700 23.996 -15.778 153 HA ARG 20 HA ARG 20 -19.254 26.803 -15.725 154 HB2 ARG 20 2HB ARG 20 -21.621 26.642 -16.394 155 HB3 ARG 20 3HB ARG 20 -20.532 26.243 -17.715 156 HG2 ARG 20 2HG ARG 20 -21.414 23.951 -16.111 157 HG3 ARG 20 3HG ARG 20 -22.691 24.779 -17.004 158 HD2 ARG 20 2HD ARG 20 -20.464 24.528 -18.732 159 HD3 ARG 20 3HD ARG 20 -20.719 22.960 -17.968 160 HE ARG 20 HE ARG 20 -22.689 22.742 -19.129 161 HH11 ARG 20 1HH1 ARG 20 -21.544 26.021 -19.375 162 HH12 ARG 20 2HH1 ARG 20 -22.699 26.472 -20.584 163 HH21 ARG 20 1HH2 ARG 20 -24.215 23.324 -20.721 164 HH22 ARG 20 2HH2 ARG 20 -24.219 24.937 -21.348 165 H LYS 21 H LYS 21 -21.623 26.936 -14.483 166 HA LYS 21 HA LYS 21 -21.820 24.914 -12.421 167 HB2 LYS 21 2HB LYS 21 -21.379 26.361 -10.559 168 HB3 LYS 21 3HB LYS 21 -19.998 26.441 -11.645 169 HG2 LYS 21 2HG LYS 21 -20.603 28.581 -12.421 170 HG3 LYS 21 3HG LYS 21 -22.211 28.470 -11.702 171 HD2 LYS 21 2HD LYS 21 -20.616 28.118 -9.524 172 HD3 LYS 21 3HD LYS 21 -19.645 29.230 -10.492 173 HE2 LYS 21 2HE LYS 21 -22.475 29.616 -9.533 174 HE3 LYS 21 3HE LYS 21 -21.045 30.525 -9.048 175 HZ1 LYS 21 3HZ LYS 21 -22.509 30.621 -11.607 176 HZ2 LYS 21 1HZ LYS 21 -20.897 31.126 -11.517 177 HZ3 LYS 21 2HZ LYS 21 -22.078 31.896 -10.583 178 H LYS 22 H LYS 22 -23.675 25.242 -11.014 179 HA LYS 22 HA LYS 22 -25.533 27.339 -11.434 180 HB2 LYS 22 2HB LYS 22 -27.219 26.291 -12.708 181 HB3 LYS 22 3HB LYS 22 -25.725 25.985 -13.583 182 HG2 LYS 22 2HG LYS 22 -26.399 23.863 -13.632 183 HG3 LYS 22 3HG LYS 22 -25.888 23.804 -11.944 184 HD2 LYS 22 2HD LYS 22 -27.985 23.274 -11.416 185 HD3 LYS 22 3HD LYS 22 -28.450 24.909 -11.890 186 HE2 LYS 22 2HE LYS 22 -28.836 24.146 -14.174 187 HE3 LYS 22 3HE LYS 22 -28.334 22.517 -13.725 188 HZ1 LYS 22 3HZ LYS 22 -30.730 22.693 -13.759 189 HZ2 LYS 22 1HZ LYS 22 -30.690 23.971 -12.651 190 HZ3 LYS 22 2HZ LYS 22 -30.199 22.424 -12.176 191 H ILE 23 H ILE 23 -27.154 27.325 -9.911 192 HA ILE 23 HA ILE 23 -27.009 25.143 -7.945 193 HB ILE 23 HB ILE 23 -27.604 26.631 -6.259 194 HG12 ILE 23 2HG1 ILE 23 -28.269 29.094 -7.138 195 HG13 ILE 23 3HG1 ILE 23 -28.894 28.128 -8.470 196 HG21 ILE 23 1HG2 ILE 23 -25.397 27.131 -7.675 197 HG22 ILE 23 2HG2 ILE 23 -26.200 28.689 -7.853 198 HG23 ILE 23 3HG2 ILE 23 -25.844 28.060 -6.245 199 HD11 ILE 23 3HD1 ILE 23 -30.095 28.651 -5.987 200 HD12 ILE 23 1HD1 ILE 23 -30.684 27.614 -7.286 201 HD13 ILE 23 2HD1 ILE 23 -29.680 26.937 -6.003 202 H VAL 24 H VAL 24 -28.914 24.286 -7.042 203 HA VAL 24 HA VAL 24 -31.423 24.944 -8.417 204 HB VAL 24 HB VAL 24 -30.988 22.078 -7.822 205 HG11 VAL 24 1HG1 VAL 24 -32.620 21.775 -9.354 206 HG12 VAL 24 2HG1 VAL 24 -32.953 23.475 -9.018 207 HG13 VAL 24 3HG1 VAL 24 -31.993 23.025 -10.428 208 HG21 VAL 24 3HG2 VAL 24 -29.604 23.480 -10.105 209 HG22 VAL 24 1HG2 VAL 24 -28.849 22.568 -8.798 210 HG23 VAL 24 2HG2 VAL 24 -29.835 21.734 -10.000 211 H HIS 25 H HIS 25 -32.986 25.333 -7.003 212 HA HIS 25 HA HIS 25 -34.163 25.453 -5.057 213 HB2 HIS 25 2HB HIS 25 -33.925 22.795 -5.698 214 HB3 HIS 25 3HB HIS 25 -33.331 22.826 -4.041 215 HD1 HIS 25 HD1 HIS 25 -35.074 24.177 -2.341 216 HD2 HIS 25 HD2 HIS 25 -36.610 22.559 -5.846 217 HE1 HIS 25 HE1 HIS 25 -37.555 24.001 -1.969 218 H GLY 26 H GLY 26 -31.251 26.155 -5.087 219 HA2 GLY 26 2HA GLY 26 -30.112 27.300 -3.358 220 HA3 GLY 26 3HA GLY 26 -30.956 26.308 -2.178 221 H ASN 27 H ASN 27 -29.725 24.516 -4.774 222 HA ASN 27 HA ASN 27 -27.411 23.705 -3.140 223 HB2 ASN 27 2HB ASN 27 -29.048 22.037 -5.064 224 HB3 ASN 27 3HB ASN 27 -27.632 21.474 -4.181 225 HD21 ASN 27 1HD2 ASN 27 -27.805 21.888 -1.744 226 HD22 ASN 27 2HD2 ASN 27 -29.312 21.456 -1.020 227 H THR 28 H THR 28 -25.673 24.671 -3.991 228 HA THR 28 HA THR 28 -25.395 25.379 -6.718 229 HB THR 28 HB THR 28 -23.025 24.997 -4.917 230 HG1 THR 28 HG1 THR 28 -24.282 26.115 -3.537 231 HG21 THR 28 3HG2 THR 28 -23.648 27.308 -6.733 232 HG22 THR 28 1HG2 THR 28 -22.939 25.817 -7.353 233 HG23 THR 28 2HG2 THR 28 -22.081 26.763 -6.136 234 H SER 29 H SER 29 -24.194 24.459 -8.364 235 HA SER 29 HA SER 29 -22.979 21.840 -7.893 236 HB2 SER 29 2HB SER 29 -24.927 22.290 -10.160 237 HB3 SER 29 3HB SER 29 -24.171 20.771 -9.679 238 HG SER 29 HG SER 29 -25.312 21.241 -7.574 239 H TYR 30 H TYR 30 -21.091 21.641 -8.909 240 HA TYR 30 HA TYR 30 -20.422 23.625 -10.974 241 HB2 TYR 30 2HB TYR 30 -18.804 22.185 -8.907 242 HB3 TYR 30 3HB TYR 30 -18.018 22.754 -10.375 243 HD1 TYR 30 HD1 TYR 30 -20.636 24.241 -8.157 244 HD2 TYR 30 HD2 TYR 30 -16.780 24.644 -9.909 245 HE1 TYR 30 HE1 TYR 30 -20.428 26.484 -7.168 246 HE2 TYR 30 HE2 TYR 30 -16.560 26.887 -8.925 247 HH TYR 30 HH TYR 30 -17.883 28.016 -6.605 248 H LEU 31 H LEU 31 -20.375 22.933 -12.996 249 HA LEU 31 HA LEU 31 -20.155 20.073 -13.540 250 HB2 LEU 31 2HB LEU 31 -21.986 21.353 -14.562 251 HB3 LEU 31 3HB LEU 31 -20.803 22.366 -15.387 252 HG LEU 31 HG LEU 31 -20.087 20.512 -16.746 253 HD11 LEU 31 1HD1 LEU 31 -21.657 18.392 -16.475 254 HD12 LEU 31 2HD1 LEU 31 -21.687 18.946 -14.801 255 HD13 LEU 31 3HD1 LEU 31 -20.150 18.564 -15.576 256 HD21 LEU 31 3HD2 LEU 31 -22.920 20.001 -17.092 257 HD22 LEU 31 1HD2 LEU 31 -21.777 20.810 -18.165 258 HD23 LEU 31 2HD2 LEU 31 -22.574 21.719 -16.880 259 H VAL 32 H VAL 32 -18.179 19.291 -13.832 260 HA VAL 32 HA VAL 32 -16.223 20.936 -15.304 261 HB VAL 32 HB VAL 32 -15.649 20.515 -12.898 262 HG11 VAL 32 1HG1 VAL 32 -15.403 17.665 -13.853 263 HG12 VAL 32 2HG1 VAL 32 -14.837 18.271 -12.296 264 HG13 VAL 32 3HG1 VAL 32 -16.560 18.279 -12.673 265 HG21 VAL 32 3HG2 VAL 32 -13.897 21.080 -14.427 266 HG22 VAL 32 1HG2 VAL 32 -13.313 19.780 -13.388 267 HG23 VAL 32 2HG2 VAL 32 -13.826 19.427 -15.038 268 H LYS 33 H LYS 33 -14.964 19.949 -16.871 269 HA LYS 33 HA LYS 33 -16.082 17.493 -17.963 270 HB2 LYS 33 2HB LYS 33 -14.589 18.021 -19.912 271 HB3 LYS 33 3HB LYS 33 -15.791 19.254 -19.552 272 HG2 LYS 33 2HG LYS 33 -14.115 20.615 -18.460 273 HG3 LYS 33 3HG LYS 33 -12.900 19.360 -18.714 274 HD2 LYS 33 2HD LYS 33 -12.411 20.566 -20.556 275 HD3 LYS 33 3HD LYS 33 -13.791 19.707 -21.243 276 HE2 LYS 33 2HE LYS 33 -14.319 22.216 -19.742 277 HE3 LYS 33 3HE LYS 33 -13.580 22.352 -21.337 278 HZ1 LYS 33 3HZ LYS 33 -16.043 20.780 -20.855 279 HZ2 LYS 33 1HZ LYS 33 -15.411 21.300 -22.336 280 HZ3 LYS 33 2HZ LYS 33 -16.078 22.422 -21.261 281 H TRP 34 H TRP 34 -14.040 16.340 -19.284 282 HA TRP 34 HA TRP 34 -12.095 15.641 -17.184 283 HB2 TRP 34 2HB TRP 34 -13.424 13.756 -19.144 284 HB3 TRP 34 3HB TRP 34 -12.169 13.311 -17.990 285 HD1 TRP 34 HD1 TRP 34 -13.531 15.089 -15.562 286 HE1 TRP 34 HE1 TRP 34 -15.569 14.070 -14.365 287 HE3 TRP 34 HE3 TRP 34 -14.969 11.724 -19.131 288 HZ2 TRP 34 HZ2 TRP 34 -17.526 12.099 -14.867 289 HZ3 TRP 34 HZ3 TRP 34 -16.935 10.309 -18.695 290 HH2 TRP 34 HH2 TRP 34 -18.185 10.494 -16.606 291 H LYS 35 H LYS 35 -10.557 17.044 -18.106 292 HA LYS 35 HA LYS 35 -8.840 17.651 -19.472 293 HB2 LYS 35 2HB LYS 35 -8.693 14.910 -19.109 294 HB3 LYS 35 3HB LYS 35 -8.566 15.093 -20.854 295 HG2 LYS 35 2HG LYS 35 -6.544 16.105 -20.741 296 HG3 LYS 35 3HG LYS 35 -6.895 16.885 -19.197 297 HD2 LYS 35 2HD LYS 35 -5.393 15.340 -18.469 298 HD3 LYS 35 3HD LYS 35 -6.855 14.357 -18.364 299 HE2 LYS 35 2HE LYS 35 -5.928 14.121 -21.007 300 HE3 LYS 35 3HE LYS 35 -4.510 13.965 -19.971 301 HZ1 LYS 35 3HZ LYS 35 -6.901 12.472 -19.209 302 HZ2 LYS 35 1HZ LYS 35 -5.270 12.051 -19.058 303 HZ3 LYS 35 2HZ LYS 35 -6.042 11.919 -20.557 304 H ASN 36 H ASN 36 -11.485 18.058 -20.481 305 HA ASN 36 HA ASN 36 -12.494 18.788 -22.385 306 HB2 ASN 36 2HB ASN 36 -9.676 18.971 -22.934 307 HB3 ASN 36 3HB ASN 36 -10.533 18.500 -24.398 308 HD21 ASN 36 1HD2 ASN 36 -10.846 20.776 -21.695 309 HD22 ASN 36 2HD2 ASN 36 -11.381 22.108 -22.657 310 H TYR 37 H TYR 37 -11.882 15.804 -21.719 311 HA TYR 37 HA TYR 37 -12.223 14.556 -24.312 312 HB2 TYR 37 2HB TYR 37 -10.827 13.510 -22.542 313 HB3 TYR 37 3HB TYR 37 -12.273 13.304 -21.559 314 HD1 TYR 37 HD1 TYR 37 -14.138 11.835 -22.464 315 HD2 TYR 37 HD2 TYR 37 -10.240 11.917 -24.165 316 HE1 TYR 37 HE1 TYR 37 -14.573 9.671 -23.549 317 HE2 TYR 37 HE2 TYR 37 -10.664 9.754 -25.256 318 HH TYR 37 HH TYR 37 -12.660 8.431 -26.008 319 H SER 38 H SER 38 -14.166 15.515 -21.595 320 HA SER 38 HA SER 38 -16.547 14.487 -22.990 321 HB2 SER 38 2HB SER 38 -15.765 14.217 -20.119 322 HB3 SER 38 3HB SER 38 -17.475 14.409 -20.508 323 HG SER 38 HG SER 38 -15.976 12.535 -21.947 324 H SER 39 H SER 39 -15.881 16.915 -23.669 325 HA SER 39 HA SER 39 -16.450 19.098 -22.098 326 HB2 SER 39 2HB SER 39 -16.994 18.675 -25.043 327 HB3 SER 39 3HB SER 39 -17.122 20.241 -24.242 328 HG SER 39 HG SER 39 -15.025 19.538 -25.312 329 H LYS 40 H LYS 40 -18.666 16.844 -23.577 330 HA LYS 40 HA LYS 40 -20.943 18.414 -22.575 331 HB2 LYS 40 2HB LYS 40 -20.946 16.153 -24.583 332 HB3 LYS 40 3HB LYS 40 -22.333 17.129 -24.115 333 HG2 LYS 40 2HG LYS 40 -21.738 18.119 -26.091 334 HG3 LYS 40 3HG LYS 40 -20.848 19.114 -24.936 335 HD2 LYS 40 2HD LYS 40 -19.020 18.658 -26.130 336 HD3 LYS 40 3HD LYS 40 -19.123 17.015 -25.493 337 HE2 LYS 40 2HE LYS 40 -20.688 17.813 -27.917 338 HE3 LYS 40 3HE LYS 40 -18.986 17.378 -28.056 339 HZ1 LYS 40 3HZ LYS 40 -21.216 15.680 -27.840 340 HZ2 LYS 40 1HZ LYS 40 -20.219 15.430 -26.496 341 HZ3 LYS 40 2HZ LYS 40 -19.591 15.264 -28.058 342 H ASP 41 H ASP 41 -19.191 15.464 -22.226 343 HA ASP 41 HA ASP 41 -21.295 14.197 -20.661 344 HB2 ASP 41 2HB ASP 41 -18.771 13.330 -21.925 345 HB3 ASP 41 3HB ASP 41 -19.153 12.547 -20.393 346 H ASN 42 H ASN 42 -19.523 16.656 -19.936 347 HA ASN 42 HA ASN 42 -17.850 16.120 -17.820 348 HB2 ASN 42 2HB ASN 42 -18.738 18.407 -16.930 349 HB3 ASN 42 3HB ASN 42 -17.880 18.354 -18.467 350 HD21 ASN 42 1HD2 ASN 42 -18.878 20.257 -19.142 351 HD22 ASN 42 2HD2 ASN 42 -20.529 20.290 -19.651 352 H THR 43 H THR 43 -18.140 16.201 -15.524 353 HA THR 43 HA THR 43 -20.686 15.004 -14.695 354 HB THR 43 HB THR 43 -18.919 14.912 -12.526 355 HG1 THR 43 HG1 THR 43 -17.079 15.234 -13.628 356 HG21 THR 43 3HG2 THR 43 -20.381 13.115 -12.935 357 HG22 THR 43 1HG2 THR 43 -18.771 12.455 -13.224 358 HG23 THR 43 2HG2 THR 43 -19.798 12.905 -14.586 359 H TRP 44 H TRP 44 -21.765 15.709 -12.807 360 HA TRP 44 HA TRP 44 -21.306 18.546 -12.215 361 HB2 TRP 44 2HB TRP 44 -23.723 16.768 -12.061 362 HB3 TRP 44 3HB TRP 44 -23.663 18.277 -11.154 363 HD1 TRP 44 HD1 TRP 44 -24.066 16.915 -14.672 364 HE1 TRP 44 HE1 TRP 44 -24.691 18.845 -16.256 365 HE3 TRP 44 HE3 TRP 44 -23.317 20.848 -11.493 366 HZ2 TRP 44 HZ2 TRP 44 -24.845 21.663 -16.169 367 HZ3 TRP 44 HZ3 TRP 44 -23.725 23.129 -12.322 368 HH2 TRP 44 HH2 TRP 44 -24.473 23.525 -14.612 369 H GLU 45 H GLU 45 -20.214 18.976 -10.422 370 HA GLU 45 HA GLU 45 -20.601 17.218 -8.088 371 HB2 GLU 45 2HB GLU 45 -18.100 18.543 -9.116 372 HB3 GLU 45 3HB GLU 45 -18.241 17.998 -7.450 373 HG2 GLU 45 2HG GLU 45 -18.981 15.995 -9.455 374 HG3 GLU 45 3HG GLU 45 -17.294 16.501 -9.501 375 H THR 46 H THR 46 -21.415 18.178 -6.352 376 HA THR 46 HA THR 46 -22.376 20.720 -6.199 377 HB THR 46 HB THR 46 -21.740 20.336 -3.580 378 HG1 THR 46 HG1 THR 46 -22.023 17.965 -3.365 379 HG21 THR 46 3HG2 THR 46 -23.989 20.628 -4.452 380 HG22 THR 46 1HG2 THR 46 -23.935 19.224 -3.387 381 HG23 THR 46 2HG2 THR 46 -23.959 19.003 -5.137 382 H GLU 47 H GLU 47 -21.702 22.661 -5.172 383 HA GLU 47 HA GLU 47 -19.125 23.516 -5.831 384 HB2 GLU 47 2HB GLU 47 -20.750 25.199 -5.635 385 HB3 GLU 47 3HB GLU 47 -21.268 24.641 -4.050 386 HG2 GLU 47 2HG GLU 47 -19.202 25.433 -3.064 387 HG3 GLU 47 3HG GLU 47 -18.617 25.933 -4.650 388 H ASP 48 H ASP 48 -20.307 21.869 -3.045 389 HA ASP 48 HA ASP 48 -17.902 22.494 -1.500 390 HB2 ASP 48 2HB ASP 48 -20.623 21.587 -0.860 391 HB3 ASP 48 3HB ASP 48 -19.358 20.774 0.057 392 H ASP 49 H ASP 49 -18.710 20.377 -3.832 393 HA ASP 49 HA ASP 49 -16.987 18.265 -2.713 394 HB2 ASP 49 2HB ASP 49 -19.352 17.970 -4.574 395 HB3 ASP 49 3HB ASP 49 -18.233 16.667 -4.180 396 H ILE 50 H ILE 50 -17.271 20.650 -5.006 397 HA ILE 50 HA ILE 50 -15.641 19.259 -7.003 398 HB ILE 50 HB ILE 50 -17.580 20.543 -7.816 399 HG12 ILE 50 2HG1 ILE 50 -15.751 22.261 -9.097 400 HG13 ILE 50 3HG1 ILE 50 -14.845 20.808 -8.691 401 HG21 ILE 50 1HG2 ILE 50 -18.039 22.646 -7.215 402 HG22 ILE 50 2HG2 ILE 50 -16.866 22.391 -5.924 403 HG23 ILE 50 3HG2 ILE 50 -16.368 23.167 -7.427 404 HD11 ILE 50 3HD1 ILE 50 -17.483 20.742 -10.121 405 HD12 ILE 50 1HD1 ILE 50 -15.932 20.839 -10.954 406 HD13 ILE 50 2HD1 ILE 50 -16.305 19.441 -9.945 407 H ARG 51 H ARG 51 -15.529 21.879 -4.680 408 HA ARG 51 HA ARG 51 -12.974 22.861 -5.556 409 HB2 ARG 51 2HB ARG 51 -13.244 24.528 -4.012 410 HB3 ARG 51 3HB ARG 51 -14.924 24.046 -4.204 411 HG2 ARG 51 2HG ARG 51 -13.115 23.001 -2.039 412 HG3 ARG 51 3HG ARG 51 -14.201 24.379 -1.847 413 HD2 ARG 51 2HD ARG 51 -16.117 23.038 -2.128 414 HD3 ARG 51 3HD ARG 51 -15.175 21.689 -2.763 415 HE ARG 51 HE ARG 51 -14.845 20.994 -0.620 416 HH11 ARG 51 1HH1 ARG 51 -15.668 24.377 -0.570 417 HH12 ARG 51 2HH1 ARG 51 -15.722 24.472 1.159 418 HH21 ARG 51 1HH2 ARG 51 -14.913 21.108 1.658 419 HH22 ARG 51 2HH2 ARG 51 -15.291 22.612 2.425 420 H THR 52 H THR 52 -14.061 20.320 -3.550 421 HA THR 52 HA THR 52 -11.595 20.158 -2.019 422 HB THR 52 HB THR 52 -13.539 19.582 -0.771 423 HG1 THR 52 HG1 THR 52 -13.032 17.407 -0.210 424 HG21 THR 52 3HG2 THR 52 -15.251 19.038 -2.197 425 HG22 THR 52 1HG2 THR 52 -14.809 17.429 -1.628 426 HG23 THR 52 2HG2 THR 52 -14.236 17.998 -3.196 427 H LYS 53 H LYS 53 -13.086 18.698 -4.803 428 HA LYS 53 HA LYS 53 -10.950 16.690 -4.956 429 HB2 LYS 53 2HB LYS 53 -13.480 16.923 -6.597 430 HB3 LYS 53 3HB LYS 53 -12.325 15.598 -6.657 431 HG2 LYS 53 2HG LYS 53 -12.964 14.776 -4.586 432 HG3 LYS 53 3HG LYS 53 -13.688 16.308 -4.091 433 HD2 LYS 53 2HD LYS 53 -15.660 15.498 -4.729 434 HD3 LYS 53 3HD LYS 53 -15.076 15.537 -6.394 435 HE2 LYS 53 2HE LYS 53 -14.670 13.300 -6.448 436 HE3 LYS 53 3HE LYS 53 -14.267 13.222 -4.733 437 HZ1 LYS 53 3HZ LYS 53 -16.320 12.573 -4.273 438 HZ2 LYS 53 1HZ LYS 53 -16.650 12.492 -5.931 439 HZ3 LYS 53 2HZ LYS 53 -16.991 13.907 -5.068 440 H TYR 54 H TYR 54 -12.313 19.464 -6.601 441 HA TYR 54 HA TYR 54 -10.006 19.434 -8.428 442 HB2 TYR 54 2HB TYR 54 -12.722 20.472 -9.223 443 HB3 TYR 54 3HB TYR 54 -11.338 20.144 -10.260 444 HD1 TYR 54 HD2 TYR 54 -10.502 17.569 -10.031 445 HD2 TYR 54 HD1 TYR 54 -14.461 18.975 -9.360 446 HE1 TYR 54 HE2 TYR 54 -11.373 15.315 -10.487 447 HE2 TYR 54 HE1 TYR 54 -15.343 16.724 -9.813 448 HH TYR 54 HH TYR 54 -13.326 14.176 -11.057 449 H GLY 55 H GLY 55 -10.315 20.782 -5.888 450 HA2 GLY 55 2HA GLY 55 -11.082 23.433 -6.000 451 HA3 GLY 55 3HA GLY 55 -9.769 22.829 -4.999 452 H ASP 56 H ASP 56 -8.406 21.929 -7.571 453 HA ASP 56 HA ASP 56 -6.679 24.120 -7.849 454 HB2 ASP 56 2HB ASP 56 -6.828 21.460 -8.821 455 HB3 ASP 56 3HB ASP 56 -6.606 22.510 -10.218 456 H LEU 57 H LEU 57 -9.158 22.902 -10.104 457 HA LEU 57 HA LEU 57 -8.917 25.257 -11.761 458 HB2 LEU 57 2HB LEU 57 -11.049 24.072 -12.792 459 HB3 LEU 57 3HB LEU 57 -9.409 23.521 -13.128 460 HG LEU 57 HG LEU 57 -10.817 22.275 -10.833 461 HD11 LEU 57 1HD1 LEU 57 -11.944 22.346 -13.483 462 HD12 LEU 57 2HD1 LEU 57 -12.589 21.634 -12.004 463 HD13 LEU 57 3HD1 LEU 57 -11.499 20.701 -13.029 464 HD21 LEU 57 3HD2 LEU 57 -9.114 21.136 -13.045 465 HD22 LEU 57 1HD2 LEU 57 -9.593 20.333 -11.550 466 HD23 LEU 57 2HD2 LEU 57 -8.495 21.712 -11.496 467 H VAL 58 H VAL 58 -11.059 24.026 -9.289 468 HA VAL 58 HA VAL 58 -13.306 25.600 -9.664 469 HB VAL 58 HB VAL 58 -12.061 24.729 -7.053 470 HG11 VAL 58 1HG1 VAL 58 -14.726 24.920 -6.574 471 HG12 VAL 58 2HG1 VAL 58 -13.545 26.169 -6.169 472 HG13 VAL 58 3HG1 VAL 58 -14.476 26.284 -7.664 473 HG21 VAL 58 3HG2 VAL 58 -13.322 23.270 -9.122 474 HG22 VAL 58 1HG2 VAL 58 -12.801 22.694 -7.539 475 HG23 VAL 58 2HG2 VAL 58 -14.436 23.318 -7.756 476 H ASP 59 H ASP 59 -10.291 26.386 -7.985 477 HA ASP 59 HA ASP 59 -11.204 29.018 -7.247 478 HB2 ASP 59 2HB ASP 59 -8.601 27.537 -6.982 479 HB3 ASP 59 3HB ASP 59 -8.691 29.265 -6.648 480 H ASP 60 H ASP 60 -10.454 27.786 -10.135 481 HA ASP 60 HA ASP 60 -9.064 30.208 -11.069 482 HB2 ASP 60 2HB ASP 60 -9.230 27.447 -12.291 483 HB3 ASP 60 3HB ASP 60 -8.503 28.837 -13.093 484 H PHE 61 H PHE 61 -12.007 28.493 -11.138 485 HA PHE 61 HA PHE 61 -12.931 29.944 -13.517 486 HB2 PHE 61 2HB PHE 61 -13.380 27.593 -13.656 487 HB3 PHE 61 3HB PHE 61 -14.072 27.571 -12.037 488 HD1 PHE 61 HD1 PHE 61 -14.607 28.640 -15.516 489 HD2 PHE 61 HD2 PHE 61 -16.334 28.193 -11.651 490 HE1 PHE 61 HE1 PHE 61 -16.841 29.023 -16.473 491 HE2 PHE 61 HE2 PHE 61 -18.570 28.575 -12.603 492 HZ PHE 61 HZ PHE 61 -18.826 28.990 -15.017 493 H GLU 62 H GLU 62 -14.377 28.952 -10.408 494 HA GLU 62 HA GLU 62 -16.370 30.894 -10.358 495 HB2 GLU 62 2HB GLU 62 -16.776 30.259 -8.144 496 HB3 GLU 62 3HB GLU 62 -16.069 28.821 -8.867 497 HG2 GLU 62 2HG GLU 62 -13.836 29.832 -7.952 498 HG3 GLU 62 3HG GLU 62 -14.920 30.699 -6.866 499 H LYS 63 H LYS 63 -13.019 31.047 -9.349 500 HA LYS 63 HA LYS 63 -13.209 33.505 -7.934 501 HB2 LYS 63 2HB LYS 63 -10.866 32.075 -9.192 502 HB3 LYS 63 3HB LYS 63 -10.706 33.548 -8.245 503 HG2 LYS 63 2HG LYS 63 -11.781 30.911 -7.268 504 HG3 LYS 63 3HG LYS 63 -10.205 31.609 -6.891 505 HD2 LYS 63 2HD LYS 63 -11.987 33.612 -6.214 506 HD3 LYS 63 3HD LYS 63 -12.808 32.134 -5.707 507 HE2 LYS 63 2HE LYS 63 -11.561 32.683 -3.835 508 HE3 LYS 63 3HE LYS 63 -10.522 31.519 -4.655 509 HZ1 LYS 63 3HZ LYS 63 -10.267 34.474 -4.817 510 HZ2 LYS 63 1HZ LYS 63 -9.265 33.353 -5.594 511 HZ3 LYS 63 2HZ LYS 63 -9.277 33.448 -3.906 512 H ASN 64 H ASN 64 -13.444 32.787 -11.201 513 HA ASN 64 HA ASN 64 -12.417 35.396 -12.051 514 HB2 ASN 64 2HB ASN 64 -13.159 32.886 -13.542 515 HB3 ASN 64 3HB ASN 64 -12.929 34.419 -14.378 516 HD21 ASN 64 1HD2 ASN 64 -11.199 33.040 -11.621 517 HD22 ASN 64 2HD2 ASN 64 -9.649 33.015 -12.383 518 H GLN 65 H GLN 65 -15.356 33.439 -12.037 519 HA GLN 65 HA GLN 65 -16.910 35.558 -13.259 520 HB2 GLN 65 2HB GLN 65 -18.197 33.177 -12.012 521 HB3 GLN 65 3HB GLN 65 -18.603 34.019 -13.502 522 HG2 GLN 65 2HG GLN 65 -16.359 32.073 -13.047 523 HG3 GLN 65 3HG GLN 65 -17.776 31.868 -14.076 524 HE21 GLN 65 1HE2 GLN 65 -17.896 34.168 -15.458 525 HE22 GLN 65 2HE2 GLN 65 -16.485 34.372 -16.432 526 H LYS 66 H LYS 66 -15.834 34.834 -10.181 527 HA LYS 66 HA LYS 66 -17.980 35.353 -8.506 528 HB2 LYS 66 2HB LYS 66 -16.264 36.161 -6.876 529 HB3 LYS 66 3HB LYS 66 -15.897 34.597 -7.590 530 HG2 LYS 66 2HG LYS 66 -13.859 35.666 -7.664 531 HG3 LYS 66 3HG LYS 66 -14.498 35.972 -9.280 532 HD2 LYS 66 2HD LYS 66 -14.582 38.183 -8.939 533 HD3 LYS 66 3HD LYS 66 -15.296 37.992 -7.336 534 HE2 LYS 66 2HE LYS 66 -12.839 37.194 -6.747 535 HE3 LYS 66 3HE LYS 66 -12.441 38.194 -8.143 536 HZ1 LYS 66 3HZ LYS 66 -12.348 39.749 -6.510 537 HZ2 LYS 66 1HZ LYS 66 -13.494 38.980 -5.532 538 HZ3 LYS 66 2HZ LYS 66 -13.994 39.877 -6.876 539 H LYS 67 H LYS 67 -16.211 37.505 -10.551 540 HA LYS 67 HA LYS 67 -16.467 39.707 -11.063 541 HB2 LYS 67 2HB LYS 67 -18.950 38.847 -10.916 542 HB3 LYS 67 3HB LYS 67 -18.997 39.848 -9.471 543 HG2 LYS 67 2HG LYS 67 -17.919 41.593 -11.210 544 HG3 LYS 67 3HG LYS 67 -18.898 40.618 -12.310 545 HD2 LYS 67 2HD LYS 67 -20.089 41.614 -9.756 546 HD3 LYS 67 3HD LYS 67 -19.932 42.709 -11.132 547 HE2 LYS 67 2HE LYS 67 -22.027 41.847 -11.502 548 HE3 LYS 67 3HE LYS 67 -21.040 40.729 -12.440 549 HZ1 LYS 67 3HZ LYS 67 -22.532 39.436 -11.174 550 HZ2 LYS 67 1HZ LYS 67 -22.206 40.292 -9.751 551 HZ3 LYS 67 2HZ LYS 67 -21.028 39.277 -10.417 Start of MODEL 6 1 H1 MET 1 H MET 1 4.845 -4.269 -14.637 2 HA MET 1 HA MET 1 5.066 -4.942 -17.025 3 HB2 MET 1 2HB MET 1 2.565 -6.514 -16.388 4 HB3 MET 1 3HB MET 1 3.400 -6.443 -17.934 5 HG2 MET 1 2HG MET 1 4.505 -8.258 -17.332 6 HG3 MET 1 3HG MET 1 5.334 -7.280 -16.123 7 HE1 MET 1 3HE MET 1 1.560 -9.805 -15.316 8 HE2 MET 1 1HE MET 1 1.641 -8.490 -16.489 9 HE3 MET 1 2HE MET 1 2.538 -9.981 -16.774 10 H HIS 2 H HIS 2 4.604 -3.017 -17.855 11 HA HIS 2 HA HIS 2 2.003 -2.191 -18.472 12 HB2 HIS 2 2HB HIS 2 2.895 -1.458 -15.816 13 HB3 HIS 2 3HB HIS 2 2.585 -0.025 -16.792 14 HD1 HIS 2 HD1 HIS 2 0.914 -2.382 -14.668 15 HD2 HIS 2 HD2 HIS 2 -0.137 -0.174 -18.026 16 HE1 HIS 2 HE1 HIS 2 -1.600 -2.344 -14.688 17 H HIS 3 H HIS 3 1.996 0.213 -19.165 18 HA HIS 3 HA HIS 3 4.571 1.312 -19.858 19 HB2 HIS 3 2HB HIS 3 4.320 1.212 -22.251 20 HB3 HIS 3 3HB HIS 3 4.177 -0.424 -21.616 21 HD1 HIS 3 HD1 HIS 3 1.894 -1.587 -21.836 22 HD2 HIS 3 HD2 HIS 3 1.972 2.272 -23.374 23 HE1 HIS 3 HE1 HIS 3 -0.228 -1.350 -23.164 24 H HIS 4 H HIS 4 4.466 3.466 -20.528 25 HA HIS 4 HA HIS 4 2.159 4.841 -21.298 26 HB2 HIS 4 2HB HIS 4 1.776 6.126 -19.144 27 HB3 HIS 4 3HB HIS 4 1.207 4.459 -19.154 28 HD1 HIS 4 HD1 HIS 4 2.017 2.998 -17.305 29 HD2 HIS 4 HD2 HIS 4 4.311 6.439 -17.711 30 HE1 HIS 4 HE1 HIS 4 3.604 2.983 -15.354 31 H HIS 5 H HIS 5 2.494 7.122 -21.502 32 HA HIS 5 HA HIS 5 5.340 7.818 -21.513 33 HB2 HIS 5 2HB HIS 5 3.509 8.055 -23.494 34 HB3 HIS 5 3HB HIS 5 3.384 9.652 -22.762 35 HD1 HIS 5 HD1 HIS 5 4.605 8.977 -25.629 36 HD2 HIS 5 HD2 HIS 5 6.742 9.779 -22.157 37 HE1 HIS 5 HE1 HIS 5 6.858 9.785 -26.398 38 H HIS 6 H HIS 6 3.991 7.842 -19.031 39 HA HIS 6 HA HIS 6 3.804 9.134 -17.168 40 HB2 HIS 6 2HB HIS 6 5.966 10.100 -18.249 41 HB3 HIS 6 3HB HIS 6 4.946 11.476 -18.661 42 HD1 HIS 6 HD1 HIS 6 5.158 9.479 -15.427 43 HD2 HIS 6 HD2 HIS 6 5.579 13.365 -16.835 44 HE1 HIS 6 HE1 HIS 6 5.560 10.893 -13.387 45 H HIS 7 H HIS 7 2.548 10.867 -16.233 46 HA HIS 7 HA HIS 7 0.873 12.460 -17.964 47 HB2 HIS 7 2HB HIS 7 -0.202 10.119 -16.417 48 HB3 HIS 7 3HB HIS 7 -1.219 11.516 -16.756 49 HD1 HIS 7 HD1 HIS 7 -1.290 12.128 -19.461 50 HD2 HIS 7 HD2 HIS 7 -0.281 8.250 -18.366 51 HE1 HIS 7 HE1 HIS 7 -1.672 10.729 -21.515 52 H GLU 8 H GLU 8 -0.964 13.460 -16.393 53 HA GLU 8 HA GLU 8 0.512 14.445 -14.042 54 HB2 GLU 8 2HB GLU 8 -1.099 16.441 -14.291 55 HB3 GLU 8 3HB GLU 8 0.228 16.298 -15.436 56 HG2 GLU 8 2HG GLU 8 -1.289 15.325 -17.081 57 HG3 GLU 8 3HG GLU 8 -2.621 15.462 -15.933 58 H VAL 9 H VAL 9 -0.990 12.071 -13.908 59 HA VAL 9 HA VAL 9 -3.448 12.834 -12.502 60 HB VAL 9 HB VAL 9 -2.461 10.178 -13.531 61 HG11 VAL 9 1HG1 VAL 9 -5.006 9.705 -12.682 62 HG12 VAL 9 2HG1 VAL 9 -3.547 9.269 -11.790 63 HG13 VAL 9 3HG1 VAL 9 -4.398 10.767 -11.413 64 HG21 VAL 9 3HG2 VAL 9 -3.575 10.833 -15.346 65 HG22 VAL 9 1HG2 VAL 9 -5.055 10.691 -14.398 66 HG23 VAL 9 2HG2 VAL 9 -4.227 12.245 -14.514 67 HA PRO 10 HA PRO 10 -0.894 12.320 -8.812 68 HB2 PRO 10 2HB PRO 10 -2.673 13.524 -7.153 69 HB3 PRO 10 3HB PRO 10 -1.559 14.428 -8.185 70 HG2 PRO 10 2HG PRO 10 -4.450 13.789 -8.623 71 HG3 PRO 10 3HG PRO 10 -3.585 15.311 -8.906 72 HD2 PRO 10 2HD PRO 10 -4.185 13.583 -10.903 73 HD3 PRO 10 3HD PRO 10 -2.725 14.593 -10.921 74 H GLN 11 H GLN 11 -1.560 9.968 -9.305 75 HA GLN 11 HA GLN 11 -2.464 7.982 -8.643 76 HB2 GLN 11 2HB GLN 11 -2.237 9.573 -6.118 77 HB3 GLN 11 3HB GLN 11 -3.000 7.989 -6.072 78 HG2 GLN 11 2HG GLN 11 -0.813 7.503 -5.551 79 HG3 GLN 11 3HG GLN 11 -0.866 7.187 -7.285 80 HE21 GLN 11 1HE2 GLN 11 0.122 8.649 -8.704 81 HE22 GLN 11 2HE2 GLN 11 1.318 9.770 -8.160 82 H THR 12 H THR 12 -4.303 10.050 -9.650 83 HA THR 12 HA THR 12 -6.767 8.764 -8.829 84 HB THR 12 HB THR 12 -7.900 11.020 -8.511 85 HG1 THR 12 HG1 THR 12 -5.262 11.907 -7.931 86 HG21 THR 12 3HG2 THR 12 -7.682 10.843 -6.245 87 HG22 THR 12 1HG2 THR 12 -5.927 10.692 -6.314 88 HG23 THR 12 2HG2 THR 12 -6.948 9.309 -6.710 89 H PHE 13 H PHE 13 -6.432 11.947 -10.301 90 HA PHE 13 HA PHE 13 -6.362 11.230 -12.984 91 HB2 PHE 13 2HB PHE 13 -8.802 11.646 -13.560 92 HB3 PHE 13 3HB PHE 13 -8.444 10.106 -12.787 93 HD1 PHE 13 HD1 PHE 13 -9.900 13.445 -12.293 94 HD2 PHE 13 HD2 PHE 13 -9.312 9.568 -10.639 95 HE1 PHE 13 HE1 PHE 13 -11.570 13.938 -10.554 96 HE2 PHE 13 HE2 PHE 13 -10.981 10.054 -8.898 97 HZ PHE 13 HZ PHE 13 -12.113 12.240 -8.854 98 H GLU 14 H GLU 14 -5.989 13.016 -14.158 99 HA GLU 14 HA GLU 14 -6.215 15.587 -12.822 100 HB2 GLU 14 2HB GLU 14 -4.254 14.563 -14.355 101 HB3 GLU 14 3HB GLU 14 -5.164 15.423 -15.588 102 HG2 GLU 14 2HG GLU 14 -4.469 16.843 -13.070 103 HG3 GLU 14 3HG GLU 14 -3.215 16.583 -14.280 104 H VAL 15 H VAL 15 -7.568 17.206 -13.380 105 HA VAL 15 HA VAL 15 -9.506 16.638 -15.523 106 HB VAL 15 HB VAL 15 -9.854 18.569 -13.230 107 HG11 VAL 15 1HG1 VAL 15 -12.334 17.812 -14.047 108 HG12 VAL 15 2HG1 VAL 15 -11.499 19.269 -14.590 109 HG13 VAL 15 3HG1 VAL 15 -11.446 17.804 -15.571 110 HG21 VAL 15 3HG2 VAL 15 -11.578 16.472 -12.788 111 HG22 VAL 15 1HG2 VAL 15 -10.101 15.668 -13.320 112 HG23 VAL 15 2HG2 VAL 15 -10.062 16.758 -11.934 113 H GLU 16 H GLU 16 -10.162 18.321 -16.922 114 HA GLU 16 HA GLU 16 -8.058 20.049 -17.735 115 HB2 GLU 16 2HB GLU 16 -10.561 19.145 -18.785 116 HB3 GLU 16 3HB GLU 16 -10.504 20.898 -18.900 117 HG2 GLU 16 2HG GLU 16 -8.164 19.298 -19.813 118 HG3 GLU 16 3HG GLU 16 -9.595 19.411 -20.835 119 H ARG 17 H ARG 17 -11.395 20.976 -16.892 120 HA ARG 17 HA ARG 17 -10.686 22.835 -14.902 121 HB2 ARG 17 2HB ARG 17 -10.615 24.877 -15.961 122 HB3 ARG 17 3HB ARG 17 -9.833 23.863 -17.166 123 HG2 ARG 17 2HG ARG 17 -12.713 24.744 -17.177 124 HG3 ARG 17 3HG ARG 17 -11.421 25.362 -18.209 125 HD2 ARG 17 2HD ARG 17 -11.212 22.736 -18.736 126 HD3 ARG 17 3HD ARG 17 -12.932 22.828 -18.360 127 HE ARG 17 HE ARG 17 -13.264 23.943 -20.330 128 HH11 ARG 17 1HH1 ARG 17 -9.871 23.991 -19.554 129 HH12 ARG 17 2HH1 ARG 17 -9.400 24.678 -21.073 130 HH21 ARG 17 1HH2 ARG 17 -12.656 24.848 -22.334 131 HH22 ARG 17 2HH2 ARG 17 -10.985 25.166 -22.653 132 H ILE 18 H ILE 18 -12.548 24.297 -14.348 133 HA ILE 18 HA ILE 18 -14.945 22.782 -14.279 134 HB ILE 18 HB ILE 18 -14.583 25.697 -13.580 135 HG12 ILE 18 2HG1 ILE 18 -13.067 23.943 -12.432 136 HG13 ILE 18 3HG1 ILE 18 -13.956 25.070 -11.413 137 HG21 ILE 18 1HG2 ILE 18 -16.791 23.751 -13.273 138 HG22 ILE 18 2HG2 ILE 18 -16.486 24.837 -11.919 139 HG23 ILE 18 3HG2 ILE 18 -16.842 25.497 -13.515 140 HD11 ILE 18 3HD1 ILE 18 -15.308 22.524 -12.018 141 HD12 ILE 18 1HD1 ILE 18 -13.879 22.432 -10.989 142 HD13 ILE 18 2HD1 ILE 18 -15.240 23.452 -10.520 143 H VAL 19 H VAL 19 -16.170 22.490 -16.025 144 HA VAL 19 HA VAL 19 -16.244 24.122 -18.292 145 HB VAL 19 HB VAL 19 -18.511 22.352 -17.382 146 HG11 VAL 19 1HG1 VAL 19 -18.443 23.983 -19.508 147 HG12 VAL 19 2HG1 VAL 19 -17.681 22.554 -20.211 148 HG13 VAL 19 3HG1 VAL 19 -19.293 22.438 -19.504 149 HG21 VAL 19 3HG2 VAL 19 -15.778 21.661 -18.106 150 HG22 VAL 19 1HG2 VAL 19 -17.040 20.672 -17.372 151 HG23 VAL 19 2HG2 VAL 19 -16.977 20.864 -19.124 152 H ARG 20 H ARG 20 -18.671 23.833 -15.692 153 HA ARG 20 HA ARG 20 -19.219 26.643 -15.751 154 HB2 ARG 20 2HB ARG 20 -21.590 26.452 -16.405 155 HB3 ARG 20 3HB ARG 20 -20.502 26.007 -17.713 156 HG2 ARG 20 2HG ARG 20 -21.382 23.777 -16.017 157 HG3 ARG 20 3HG ARG 20 -22.656 24.566 -16.951 158 HD2 ARG 20 2HD ARG 20 -20.415 24.245 -18.653 159 HD3 ARG 20 3HD ARG 20 -20.680 22.709 -17.828 160 HE ARG 20 HE ARG 20 -22.646 22.451 -18.991 161 HH11 ARG 20 1HH1 ARG 20 -21.478 25.709 -19.372 162 HH12 ARG 20 2HH1 ARG 20 -22.621 26.112 -20.611 163 HH21 ARG 20 1HH2 ARG 20 -24.155 22.970 -20.620 164 HH22 ARG 20 2HH2 ARG 20 -24.143 24.554 -21.319 165 H LYS 21 H LYS 21 -21.581 26.834 -14.508 166 HA LYS 21 HA LYS 21 -21.778 24.897 -12.366 167 HB2 LYS 21 2HB LYS 21 -21.324 26.413 -10.565 168 HB3 LYS 21 3HB LYS 21 -19.950 26.456 -11.662 169 HG2 LYS 21 2HG LYS 21 -20.559 28.565 -12.509 170 HG3 LYS 21 3HG LYS 21 -22.168 28.475 -11.788 171 HD2 LYS 21 2HD LYS 21 -20.574 28.207 -9.597 172 HD3 LYS 21 3HD LYS 21 -19.608 29.289 -10.604 173 HE2 LYS 21 2HE LYS 21 -22.437 29.695 -9.652 174 HE3 LYS 21 3HE LYS 21 -21.011 30.633 -9.214 175 HZ1 LYS 21 3HZ LYS 21 -22.537 30.647 -11.729 176 HZ2 LYS 21 1HZ LYS 21 -20.902 31.081 -11.744 177 HZ3 LYS 21 2HZ LYS 21 -21.998 31.952 -10.796 178 H LYS 22 H LYS 22 -23.632 25.277 -10.976 179 HA LYS 22 HA LYS 22 -25.486 27.363 -11.468 180 HB2 LYS 22 2HB LYS 22 -27.191 26.247 -12.681 181 HB3 LYS 22 3HB LYS 22 -25.700 25.967 -13.572 182 HG2 LYS 22 2HG LYS 22 -26.221 23.813 -13.551 183 HG3 LYS 22 3HG LYS 22 -25.854 23.824 -11.825 184 HD2 LYS 22 2HD LYS 22 -27.972 23.209 -11.489 185 HD3 LYS 22 3HD LYS 22 -28.430 24.842 -11.978 186 HE2 LYS 22 2HE LYS 22 -28.387 23.956 -14.367 187 HE3 LYS 22 3HE LYS 22 -28.326 22.346 -13.651 188 HZ1 LYS 22 3HZ LYS 22 -30.551 24.106 -13.953 189 HZ2 LYS 22 1HZ LYS 22 -30.371 23.609 -12.345 190 HZ3 LYS 22 2HZ LYS 22 -30.529 22.457 -13.574 191 H ILE 23 H ILE 23 -27.155 27.377 -9.979 192 HA ILE 23 HA ILE 23 -27.010 25.262 -7.936 193 HB ILE 23 HB ILE 23 -27.570 26.803 -6.285 194 HG12 ILE 23 2HG1 ILE 23 -28.189 29.256 -7.228 195 HG13 ILE 23 3HG1 ILE 23 -28.843 28.266 -8.528 196 HG21 ILE 23 1HG2 ILE 23 -26.132 28.790 -7.941 197 HG22 ILE 23 2HG2 ILE 23 -25.787 28.205 -6.314 198 HG23 ILE 23 3HG2 ILE 23 -25.358 27.223 -7.714 199 HD11 ILE 23 3HD1 ILE 23 -29.632 27.162 -6.020 200 HD12 ILE 23 1HD1 ILE 23 -30.018 28.882 -6.055 201 HD13 ILE 23 2HD1 ILE 23 -30.632 27.814 -7.317 202 H VAL 24 H VAL 24 -28.929 24.468 -7.003 203 HA VAL 24 HA VAL 24 -31.434 25.146 -8.374 204 HB VAL 24 HB VAL 24 -31.088 22.283 -7.749 205 HG11 VAL 24 1HG1 VAL 24 -32.959 23.746 -9.028 206 HG12 VAL 24 2HG1 VAL 24 -31.984 23.211 -10.398 207 HG13 VAL 24 3HG1 VAL 24 -32.699 22.024 -9.306 208 HG21 VAL 24 3HG2 VAL 24 -29.885 21.859 -9.880 209 HG22 VAL 24 1HG2 VAL 24 -29.598 23.594 -10.019 210 HG23 VAL 24 2HG2 VAL 24 -28.903 22.690 -8.673 211 H HIS 25 H HIS 25 -32.999 25.550 -6.964 212 HA HIS 25 HA HIS 25 -34.162 25.711 -5.014 213 HB2 HIS 25 2HB HIS 25 -33.946 23.045 -5.607 214 HB3 HIS 25 3HB HIS 25 -33.321 23.098 -3.962 215 HD1 HIS 25 HD1 HIS 25 -36.212 22.060 -5.242 216 HD2 HIS 25 HD2 HIS 25 -35.442 25.249 -2.692 217 HE1 HIS 25 HE1 HIS 25 -38.384 22.515 -4.059 218 H GLY 26 H GLY 26 -31.251 26.410 -5.076 219 HA2 GLY 26 2HA GLY 26 -30.076 27.573 -3.392 220 HA3 GLY 26 3HA GLY 26 -30.943 26.645 -2.178 221 H ASN 27 H ASN 27 -29.671 24.817 -4.766 222 HA ASN 27 HA ASN 27 -27.407 23.984 -3.072 223 HB2 ASN 27 2HB ASN 27 -29.069 22.288 -4.949 224 HB3 ASN 27 3HB ASN 27 -27.660 21.727 -4.054 225 HD21 ASN 27 1HD2 ASN 27 -27.926 22.598 -1.601 226 HD22 ASN 27 2HD2 ASN 27 -29.398 22.061 -0.873 227 H THR 28 H THR 28 -25.651 24.897 -3.944 228 HA THR 28 HA THR 28 -25.350 25.513 -6.691 229 HB THR 28 HB THR 28 -22.989 25.159 -4.875 230 HG1 THR 28 HG1 THR 28 -24.171 26.347 -3.512 231 HG21 THR 28 3HG2 THR 28 -22.045 26.916 -6.126 232 HG22 THR 28 1HG2 THR 28 -23.608 27.409 -6.773 233 HG23 THR 28 2HG2 THR 28 -22.863 25.905 -7.317 234 H SER 29 H SER 29 -24.138 24.528 -8.296 235 HA SER 29 HA SER 29 -22.952 21.917 -7.734 236 HB2 SER 29 2HB SER 29 -25.050 22.368 -9.872 237 HB3 SER 29 3HB SER 29 -24.123 20.885 -9.650 238 HG SER 29 HG SER 29 -25.271 20.403 -7.915 239 H TYR 30 H TYR 30 -21.059 21.696 -8.729 240 HA TYR 30 HA TYR 30 -20.395 23.587 -10.878 241 HB2 TYR 30 2HB TYR 30 -18.766 22.199 -8.781 242 HB3 TYR 30 3HB TYR 30 -17.993 22.740 -10.266 243 HD1 TYR 30 HD1 TYR 30 -20.594 24.262 -8.051 244 HD2 TYR 30 HD2 TYR 30 -16.760 24.645 -9.856 245 HE1 TYR 30 HE1 TYR 30 -20.384 26.525 -7.110 246 HE2 TYR 30 HE2 TYR 30 -16.539 26.908 -8.919 247 HH TYR 30 HH TYR 30 -17.588 28.143 -6.820 248 H LEU 31 H LEU 31 -20.418 22.811 -12.870 249 HA LEU 31 HA LEU 31 -20.178 19.934 -13.309 250 HB2 LEU 31 2HB LEU 31 -22.043 21.170 -14.336 251 HB3 LEU 31 3HB LEU 31 -20.882 22.144 -15.235 252 HG LEU 31 HG LEU 31 -20.268 20.326 -16.607 253 HD11 LEU 31 1HD1 LEU 31 -19.992 18.403 -15.472 254 HD12 LEU 31 2HD1 LEU 31 -21.641 18.085 -16.011 255 HD13 LEU 31 3HD1 LEU 31 -21.350 18.719 -14.391 256 HD21 LEU 31 3HD2 LEU 31 -23.183 20.675 -16.137 257 HD22 LEU 31 1HD2 LEU 31 -22.658 19.387 -17.221 258 HD23 LEU 31 2HD2 LEU 31 -22.210 21.059 -17.558 259 H VAL 32 H VAL 32 -18.167 19.204 -13.532 260 HA VAL 32 HA VAL 32 -16.254 20.813 -15.094 261 HB VAL 32 HB VAL 32 -15.624 20.392 -12.715 262 HG11 VAL 32 1HG1 VAL 32 -14.731 17.682 -13.072 263 HG12 VAL 32 2HG1 VAL 32 -15.742 18.370 -11.800 264 HG13 VAL 32 3HG1 VAL 32 -16.477 17.791 -13.296 265 HG21 VAL 32 3HG2 VAL 32 -13.855 19.166 -14.830 266 HG22 VAL 32 1HG2 VAL 32 -13.910 20.864 -14.354 267 HG23 VAL 32 2HG2 VAL 32 -13.322 19.648 -13.220 268 H LYS 33 H LYS 33 -14.978 19.803 -16.652 269 HA LYS 33 HA LYS 33 -16.143 17.368 -17.754 270 HB2 LYS 33 2HB LYS 33 -14.719 17.897 -19.735 271 HB3 LYS 33 3HB LYS 33 -15.860 19.170 -19.319 272 HG2 LYS 33 2HG LYS 33 -14.103 20.460 -18.281 273 HG3 LYS 33 3HG LYS 33 -12.944 19.159 -18.565 274 HD2 LYS 33 2HD LYS 33 -12.461 20.424 -20.387 275 HD3 LYS 33 3HD LYS 33 -13.806 19.508 -21.071 276 HE2 LYS 33 2HE LYS 33 -14.498 21.981 -19.607 277 HE3 LYS 33 3HE LYS 33 -13.651 22.188 -21.139 278 HZ1 LYS 33 3HZ LYS 33 -16.118 22.166 -21.308 279 HZ2 LYS 33 1HZ LYS 33 -16.100 20.543 -20.832 280 HZ3 LYS 33 2HZ LYS 33 -15.351 21.009 -22.275 281 H TRP 34 H TRP 34 -14.186 16.152 -19.080 282 HA TRP 34 HA TRP 34 -12.202 15.444 -17.017 283 HB2 TRP 34 2HB TRP 34 -13.529 13.597 -19.014 284 HB3 TRP 34 3HB TRP 34 -12.290 13.130 -17.853 285 HD1 TRP 34 HD1 TRP 34 -13.824 15.046 -15.528 286 HE1 TRP 34 HE1 TRP 34 -15.821 13.954 -14.325 287 HE3 TRP 34 HE3 TRP 34 -14.872 11.342 -18.892 288 HZ2 TRP 34 HZ2 TRP 34 -17.603 11.807 -14.746 289 HZ3 TRP 34 HZ3 TRP 34 -16.739 9.811 -18.417 290 HH2 TRP 34 HH2 TRP 34 -18.075 10.040 -16.386 291 H LYS 35 H LYS 35 -10.590 16.765 -17.859 292 HA LYS 35 HA LYS 35 -8.919 17.444 -19.257 293 HB2 LYS 35 2HB LYS 35 -8.757 14.691 -18.885 294 HB3 LYS 35 3HB LYS 35 -8.563 14.898 -20.620 295 HG2 LYS 35 2HG LYS 35 -6.965 16.848 -19.312 296 HG3 LYS 35 3HG LYS 35 -6.650 15.277 -18.572 297 HD2 LYS 35 2HD LYS 35 -6.802 15.255 -21.506 298 HD3 LYS 35 3HD LYS 35 -5.457 16.183 -20.839 299 HE2 LYS 35 2HE LYS 35 -4.421 14.343 -20.021 300 HE3 LYS 35 3HE LYS 35 -5.936 13.528 -19.640 301 HZ1 LYS 35 3HZ LYS 35 -6.136 13.358 -22.198 302 HZ2 LYS 35 1HZ LYS 35 -5.129 12.278 -21.372 303 HZ3 LYS 35 2HZ LYS 35 -4.463 13.604 -22.184 304 H ASN 36 H ASN 36 -11.577 17.767 -20.294 305 HA ASN 36 HA ASN 36 -12.478 18.590 -22.228 306 HB2 ASN 36 2HB ASN 36 -9.708 18.536 -22.800 307 HB3 ASN 36 3HB ASN 36 -10.524 17.836 -24.195 308 HD21 ASN 36 1HD2 ASN 36 -10.513 20.628 -22.042 309 HD22 ASN 36 2HD2 ASN 36 -11.103 21.756 -23.210 310 H TYR 37 H TYR 37 -10.860 15.473 -22.348 311 HA TYR 37 HA TYR 37 -11.906 14.231 -24.507 312 HB2 TYR 37 2HB TYR 37 -10.451 13.038 -23.012 313 HB3 TYR 37 3HB TYR 37 -11.629 13.129 -21.707 314 HD1 TYR 37 HD2 TYR 37 -13.735 11.793 -21.860 315 HD2 TYR 37 HD1 TYR 37 -10.551 11.312 -24.640 316 HE1 TYR 37 HE2 TYR 37 -14.669 9.624 -22.545 317 HE2 TYR 37 HE1 TYR 37 -11.477 9.142 -25.335 318 HH TYR 37 HH TYR 37 -13.404 7.366 -23.728 319 H SER 38 H SER 38 -13.554 14.278 -21.341 320 HA SER 38 HA SER 38 -16.062 13.585 -22.672 321 HB2 SER 38 2HB SER 38 -16.865 12.881 -20.589 322 HB3 SER 38 3HB SER 38 -15.154 12.461 -20.512 323 HG SER 38 HG SER 38 -16.486 14.646 -19.311 324 H SER 39 H SER 39 -15.157 16.134 -23.257 325 HA SER 39 HA SER 39 -15.987 18.218 -21.639 326 HB2 SER 39 2HB SER 39 -14.860 19.029 -23.461 327 HB3 SER 39 3HB SER 39 -15.596 17.868 -24.567 328 HG SER 39 HG SER 39 -16.939 20.091 -23.421 329 H LYS 40 H LYS 40 -17.880 15.957 -23.427 330 HA LYS 40 HA LYS 40 -20.307 17.563 -23.071 331 HB2 LYS 40 2HB LYS 40 -19.972 14.963 -24.574 332 HB3 LYS 40 3HB LYS 40 -21.379 16.018 -24.600 333 HG2 LYS 40 2HG LYS 40 -20.364 16.595 -26.565 334 HG3 LYS 40 3HG LYS 40 -19.666 17.790 -25.469 335 HD2 LYS 40 2HD LYS 40 -17.633 17.064 -25.997 336 HD3 LYS 40 3HD LYS 40 -18.041 15.475 -25.346 337 HE2 LYS 40 2HE LYS 40 -18.745 16.346 -28.141 338 HE3 LYS 40 3HE LYS 40 -17.243 15.514 -27.740 339 HZ1 LYS 40 3HZ LYS 40 -18.411 13.602 -27.084 340 HZ2 LYS 40 1HZ LYS 40 -19.140 14.084 -28.533 341 HZ3 LYS 40 2HZ LYS 40 -19.901 14.402 -27.057 342 H ASP 41 H ASP 41 -18.638 14.831 -21.822 343 HA ASP 41 HA ASP 41 -21.025 13.906 -20.389 344 HB2 ASP 41 2HB ASP 41 -18.888 12.536 -21.594 345 HB3 ASP 41 3HB ASP 41 -18.651 12.349 -19.858 346 H ASN 42 H ASN 42 -19.650 16.388 -19.722 347 HA ASN 42 HA ASN 42 -17.918 16.226 -17.571 348 HB2 ASN 42 2HB ASN 42 -20.125 18.276 -17.747 349 HB3 ASN 42 3HB ASN 42 -18.514 18.468 -17.060 350 HD21 ASN 42 1HD2 ASN 42 -19.839 20.052 -19.091 351 HD22 ASN 42 2HD2 ASN 42 -18.833 19.986 -20.494 352 H THR 43 H THR 43 -18.201 16.271 -15.316 353 HA THR 43 HA THR 43 -20.687 14.987 -14.421 354 HB THR 43 HB THR 43 -18.924 14.858 -12.293 355 HG1 THR 43 HG1 THR 43 -17.029 15.201 -13.198 356 HG21 THR 43 3HG2 THR 43 -19.394 12.842 -14.492 357 HG22 THR 43 1HG2 THR 43 -20.379 13.057 -13.046 358 HG23 THR 43 2HG2 THR 43 -18.718 12.479 -12.904 359 H TRP 44 H TRP 44 -21.833 15.751 -12.657 360 HA TRP 44 HA TRP 44 -21.331 18.559 -12.000 361 HB2 TRP 44 2HB TRP 44 -23.781 16.976 -11.243 362 HB3 TRP 44 3HB TRP 44 -23.611 18.723 -11.394 363 HD1 TRP 44 HD1 TRP 44 -23.640 19.749 -13.883 364 HE1 TRP 44 HE1 TRP 44 -24.575 18.821 -16.095 365 HE3 TRP 44 HE3 TRP 44 -24.134 14.836 -12.557 366 HZ2 TRP 44 HZ2 TRP 44 -25.413 16.335 -17.138 367 HZ3 TRP 44 HZ3 TRP 44 -25.010 13.248 -14.220 368 HH2 TRP 44 HH2 TRP 44 -25.636 13.984 -16.463 369 H GLU 45 H GLU 45 -20.339 19.046 -10.166 370 HA GLU 45 HA GLU 45 -20.704 17.264 -7.850 371 HB2 GLU 45 2HB GLU 45 -18.174 18.547 -8.866 372 HB3 GLU 45 3HB GLU 45 -18.333 17.978 -7.210 373 HG2 GLU 45 2HG GLU 45 -19.065 16.057 -9.322 374 HG3 GLU 45 3HG GLU 45 -17.359 16.485 -9.206 375 H THR 46 H THR 46 -21.497 18.245 -6.116 376 HA THR 46 HA THR 46 -22.427 20.789 -5.957 377 HB THR 46 HB THR 46 -21.729 20.432 -3.349 378 HG1 THR 46 HG1 THR 46 -21.968 18.093 -3.061 379 HG21 THR 46 3HG2 THR 46 -23.997 20.727 -4.169 380 HG22 THR 46 1HG2 THR 46 -23.925 19.333 -3.093 381 HG23 THR 46 2HG2 THR 46 -23.992 19.096 -4.839 382 H GLU 47 H GLU 47 -21.724 22.750 -5.020 383 HA GLU 47 HA GLU 47 -19.138 23.558 -5.715 384 HB2 GLU 47 2HB GLU 47 -20.757 25.256 -5.589 385 HB3 GLU 47 3HB GLU 47 -21.269 24.772 -3.978 386 HG2 GLU 47 2HG GLU 47 -19.187 25.591 -3.043 387 HG3 GLU 47 3HG GLU 47 -18.615 26.021 -4.653 388 H ASP 48 H ASP 48 -20.336 22.024 -2.875 389 HA ASP 48 HA ASP 48 -17.938 22.699 -1.341 390 HB2 ASP 48 2HB ASP 48 -20.308 22.750 -0.359 391 HB3 ASP 48 3HB ASP 48 -20.230 20.991 -0.388 392 H ASP 49 H ASP 49 -18.757 20.490 -3.595 393 HA ASP 49 HA ASP 49 -17.021 18.427 -2.403 394 HB2 ASP 49 2HB ASP 49 -19.581 17.948 -2.867 395 HB3 ASP 49 3HB ASP 49 -19.008 17.708 -4.516 396 H ILE 50 H ILE 50 -17.335 20.715 -4.797 397 HA ILE 50 HA ILE 50 -15.714 19.252 -6.746 398 HB ILE 50 HB ILE 50 -17.668 20.533 -7.567 399 HG12 ILE 50 2HG1 ILE 50 -15.807 22.137 -8.963 400 HG13 ILE 50 3HG1 ILE 50 -14.958 20.658 -8.525 401 HG21 ILE 50 1HG2 ILE 50 -16.361 23.136 -7.321 402 HG22 ILE 50 2HG2 ILE 50 -18.050 22.687 -7.091 403 HG23 ILE 50 3HG2 ILE 50 -16.889 22.448 -5.785 404 HD11 ILE 50 3HD1 ILE 50 -17.656 20.568 -9.813 405 HD12 ILE 50 1HD1 ILE 50 -16.185 20.748 -10.768 406 HD13 ILE 50 2HD1 ILE 50 -16.409 19.323 -9.753 407 H ARG 51 H ARG 51 -15.571 21.940 -4.508 408 HA ARG 51 HA ARG 51 -13.030 22.900 -5.439 409 HB2 ARG 51 2HB ARG 51 -13.269 24.592 -3.912 410 HB3 ARG 51 3HB ARG 51 -14.953 24.116 -4.085 411 HG2 ARG 51 2HG ARG 51 -13.132 23.099 -1.917 412 HG3 ARG 51 3HG ARG 51 -14.215 24.481 -1.739 413 HD2 ARG 51 2HD ARG 51 -16.137 23.126 -2.028 414 HD3 ARG 51 3HD ARG 51 -15.174 21.757 -2.580 415 HE ARG 51 HE ARG 51 -14.879 21.166 -0.401 416 HH11 ARG 51 1HH1 ARG 51 -15.735 24.538 -0.526 417 HH12 ARG 51 2HH1 ARG 51 -15.825 24.713 1.195 418 HH21 ARG 51 1HH2 ARG 51 -14.994 21.384 1.867 419 HH22 ARG 51 2HH2 ARG 51 -15.403 22.919 2.555 420 H THR 52 H THR 52 -14.073 20.383 -3.389 421 HA THR 52 HA THR 52 -11.590 20.257 -1.882 422 HB THR 52 HB THR 52 -13.650 19.709 -0.701 423 HG1 THR 52 HG1 THR 52 -11.825 18.595 0.006 424 HG21 THR 52 3HG2 THR 52 -15.252 18.343 -1.481 425 HG22 THR 52 1HG2 THR 52 -14.088 17.125 -2.001 426 HG23 THR 52 2HG2 THR 52 -14.441 18.508 -3.038 427 H LYS 53 H LYS 53 -13.134 18.708 -4.600 428 HA LYS 53 HA LYS 53 -10.969 16.734 -4.766 429 HB2 LYS 53 2HB LYS 53 -13.512 16.895 -6.393 430 HB3 LYS 53 3HB LYS 53 -12.360 15.567 -6.379 431 HG2 LYS 53 2HG LYS 53 -13.014 14.851 -4.275 432 HG3 LYS 53 3HG LYS 53 -13.734 16.409 -3.860 433 HD2 LYS 53 2HD LYS 53 -15.655 15.298 -4.318 434 HD3 LYS 53 3HD LYS 53 -15.256 15.767 -5.973 435 HE2 LYS 53 2HE LYS 53 -14.599 13.650 -6.557 436 HE3 LYS 53 3HE LYS 53 -14.139 13.221 -4.910 437 HZ1 LYS 53 3HZ LYS 53 -16.354 12.348 -6.091 438 HZ2 LYS 53 1HZ LYS 53 -16.963 13.738 -5.342 439 HZ3 LYS 53 2HZ LYS 53 -16.210 12.539 -4.416 440 H TYR 54 H TYR 54 -12.371 19.483 -6.405 441 HA TYR 54 HA TYR 54 -10.141 19.399 -8.328 442 HB2 TYR 54 2HB TYR 54 -12.823 20.580 -9.012 443 HB3 TYR 54 3HB TYR 54 -11.524 20.100 -10.099 444 HD1 TYR 54 HD1 TYR 54 -14.273 18.873 -7.979 445 HD2 TYR 54 HD2 TYR 54 -11.305 17.831 -10.844 446 HE1 TYR 54 HE1 TYR 54 -15.359 16.689 -8.301 447 HE2 TYR 54 HE2 TYR 54 -12.383 15.646 -11.175 448 HH TYR 54 HH TYR 54 -14.296 14.460 -10.799 449 H GLY 55 H GLY 55 -10.370 20.756 -5.745 450 HA2 GLY 55 2HA GLY 55 -11.015 23.435 -5.853 451 HA3 GLY 55 3HA GLY 55 -9.714 22.778 -4.872 452 H ASP 56 H ASP 56 -8.399 21.816 -7.429 453 HA ASP 56 HA ASP 56 -6.613 23.952 -7.752 454 HB2 ASP 56 2HB ASP 56 -6.781 21.284 -8.610 455 HB3 ASP 56 3HB ASP 56 -6.663 22.243 -10.083 456 H LEU 57 H LEU 57 -9.134 22.763 -9.975 457 HA LEU 57 HA LEU 57 -8.835 25.082 -11.674 458 HB2 LEU 57 2HB LEU 57 -11.003 23.931 -12.677 459 HB3 LEU 57 3HB LEU 57 -9.376 23.342 -13.016 460 HG LEU 57 HG LEU 57 -10.794 22.157 -10.694 461 HD11 LEU 57 1HD1 LEU 57 -12.490 21.253 -11.803 462 HD12 LEU 57 2HD1 LEU 57 -11.432 20.720 -13.108 463 HD13 LEU 57 3HD1 LEU 57 -12.118 22.344 -13.138 464 HD21 LEU 57 3HD2 LEU 57 -9.118 20.965 -12.900 465 HD22 LEU 57 1HD2 LEU 57 -9.618 20.176 -11.403 466 HD23 LEU 57 2HD2 LEU 57 -8.492 21.532 -11.351 467 H VAL 58 H VAL 58 -11.050 23.913 -9.221 468 HA VAL 58 HA VAL 58 -13.218 25.597 -9.628 469 HB VAL 58 HB VAL 58 -12.099 24.616 -6.998 470 HG11 VAL 58 1HG1 VAL 58 -14.523 26.169 -7.697 471 HG12 VAL 58 2HG1 VAL 58 -14.705 24.878 -6.507 472 HG13 VAL 58 3HG1 VAL 58 -13.552 26.182 -6.225 473 HG21 VAL 58 3HG2 VAL 58 -12.889 22.615 -7.551 474 HG22 VAL 58 1HG2 VAL 58 -14.489 23.301 -7.831 475 HG23 VAL 58 2HG2 VAL 58 -13.315 23.237 -9.145 476 H ASP 59 H ASP 59 -10.173 26.207 -7.953 477 HA ASP 59 HA ASP 59 -10.979 28.836 -7.084 478 HB2 ASP 59 2HB ASP 59 -8.474 27.205 -6.891 479 HB3 ASP 59 3HB ASP 59 -8.402 28.939 -6.589 480 H ASP 60 H ASP 60 -10.416 27.744 -10.039 481 HA ASP 60 HA ASP 60 -8.996 30.179 -10.902 482 HB2 ASP 60 2HB ASP 60 -7.751 28.094 -11.379 483 HB3 ASP 60 3HB ASP 60 -9.120 27.510 -12.321 484 H PHE 61 H PHE 61 -11.881 28.366 -11.050 485 HA PHE 61 HA PHE 61 -12.820 29.784 -13.434 486 HB2 PHE 61 2HB PHE 61 -13.234 27.391 -13.424 487 HB3 PHE 61 3HB PHE 61 -14.039 27.505 -11.863 488 HD1 PHE 61 HD1 PHE 61 -14.295 28.396 -15.432 489 HD2 PHE 61 HD2 PHE 61 -16.316 28.109 -11.697 490 HE1 PHE 61 HE1 PHE 61 -16.447 28.743 -16.574 491 HE2 PHE 61 HE2 PHE 61 -18.471 28.454 -12.833 492 HZ PHE 61 HZ PHE 61 -18.539 28.771 -15.274 493 H GLU 62 H GLU 62 -13.997 29.032 -10.150 494 HA GLU 62 HA GLU 62 -16.047 31.001 -10.223 495 HB2 GLU 62 2HB GLU 62 -16.518 30.395 -8.001 496 HB3 GLU 62 3HB GLU 62 -15.929 28.917 -8.748 497 HG2 GLU 62 2HG GLU 62 -14.738 28.841 -6.827 498 HG3 GLU 62 3HG GLU 62 -13.620 29.794 -7.802 499 H LYS 63 H LYS 63 -12.720 30.970 -9.127 500 HA LYS 63 HA LYS 63 -12.819 33.429 -7.703 501 HB2 LYS 63 2HB LYS 63 -10.486 31.947 -8.927 502 HB3 LYS 63 3HB LYS 63 -10.334 33.336 -7.859 503 HG2 LYS 63 2HG LYS 63 -11.643 30.731 -7.108 504 HG3 LYS 63 3HG LYS 63 -9.982 31.181 -6.716 505 HD2 LYS 63 2HD LYS 63 -10.911 33.197 -5.541 506 HD3 LYS 63 3HD LYS 63 -12.519 32.510 -5.777 507 HE2 LYS 63 2HE LYS 63 -11.767 30.478 -4.565 508 HE3 LYS 63 3HE LYS 63 -10.231 31.281 -4.243 509 HZ1 LYS 63 3HZ LYS 63 -12.041 31.373 -2.461 510 HZ2 LYS 63 1HZ LYS 63 -12.788 32.524 -3.451 511 HZ3 LYS 63 2HZ LYS 63 -11.237 32.812 -2.842 512 H ASN 64 H ASN 64 -12.960 32.722 -10.986 513 HA ASN 64 HA ASN 64 -11.787 35.284 -11.785 514 HB2 ASN 64 2HB ASN 64 -12.571 32.804 -13.298 515 HB3 ASN 64 3HB ASN 64 -12.283 34.326 -14.135 516 HD21 ASN 64 1HD2 ASN 64 -10.651 32.935 -11.327 517 HD22 ASN 64 2HD2 ASN 64 -9.086 32.859 -12.053 518 H GLN 65 H GLN 65 -14.806 33.446 -11.981 519 HA GLN 65 HA GLN 65 -16.210 35.652 -13.215 520 HB2 GLN 65 2HB GLN 65 -18.111 34.206 -13.281 521 HB3 GLN 65 3HB GLN 65 -16.706 33.243 -13.718 522 HG2 GLN 65 2HG GLN 65 -17.675 31.802 -12.274 523 HG3 GLN 65 3HG GLN 65 -16.718 32.729 -11.120 524 HE21 GLN 65 1HE2 GLN 65 -19.825 33.202 -12.774 525 HE22 GLN 65 2HE2 GLN 65 -20.726 33.557 -11.344 526 H LYS 66 H LYS 66 -15.230 34.986 -10.135 527 HA LYS 66 HA LYS 66 -17.442 35.539 -8.527 528 HB2 LYS 66 2HB LYS 66 -15.757 36.285 -6.834 529 HB3 LYS 66 3HB LYS 66 -15.427 34.705 -7.533 530 HG2 LYS 66 2HG LYS 66 -13.345 35.666 -7.559 531 HG3 LYS 66 3HG LYS 66 -13.926 36.051 -9.180 532 HD2 LYS 66 2HD LYS 66 -13.873 38.248 -8.776 533 HD3 LYS 66 3HD LYS 66 -14.694 38.059 -7.225 534 HE2 LYS 66 2HE LYS 66 -12.577 38.977 -6.731 535 HE3 LYS 66 3HE LYS 66 -12.477 37.271 -6.298 536 HZ1 LYS 66 3HZ LYS 66 -10.822 36.992 -7.724 537 HZ2 LYS 66 1HZ LYS 66 -10.799 38.663 -7.989 538 HZ3 LYS 66 2HZ LYS 66 -11.713 37.659 -8.998 539 H LYS 67 H LYS 67 -15.443 37.640 -10.438 540 HA LYS 67 HA LYS 67 -15.570 39.855 -10.937 541 HB2 LYS 67 2HB LYS 67 -17.983 39.230 -11.281 542 HB3 LYS 67 3HB LYS 67 -18.297 39.773 -9.639 543 HG2 LYS 67 2HG LYS 67 -18.012 41.986 -10.167 544 HG3 LYS 67 3HG LYS 67 -16.963 41.634 -11.542 545 HD2 LYS 67 2HD LYS 67 -18.978 42.360 -12.501 546 HD3 LYS 67 3HD LYS 67 -19.032 40.601 -12.631 547 HE2 LYS 67 2HE LYS 67 -20.144 41.434 -10.121 548 HE3 LYS 67 3HE LYS 67 -20.924 42.306 -11.440 549 HZ1 LYS 67 3HZ LYS 67 -21.522 39.780 -10.616 550 HZ2 LYS 67 1HZ LYS 67 -20.597 39.521 -12.009 551 HZ3 LYS 67 2HZ LYS 67 -21.989 40.479 -12.084 Start of MODEL 7 1 H1 MET 1 H MET 1 12.298 11.271 -18.438 2 HA MET 1 HA MET 1 11.522 13.198 -17.515 3 HB2 MET 1 2HB MET 1 11.993 13.811 -20.115 4 HB3 MET 1 3HB MET 1 10.283 14.205 -19.999 5 HG2 MET 1 2HG MET 1 10.676 15.789 -18.280 6 HG3 MET 1 3HG MET 1 12.344 15.254 -18.083 7 HE1 MET 1 3HE MET 1 11.077 15.662 -21.919 8 HE2 MET 1 1HE MET 1 9.868 16.248 -20.776 9 HE3 MET 1 2HE MET 1 10.730 17.388 -21.809 10 H HIS 2 H HIS 2 9.838 10.890 -17.515 11 HA HIS 2 HA HIS 2 7.447 12.000 -16.567 12 HB2 HIS 2 2HB HIS 2 5.893 11.060 -18.318 13 HB3 HIS 2 3HB HIS 2 6.823 12.466 -18.827 14 HD1 HIS 2 HD1 HIS 2 6.712 8.718 -19.274 15 HD2 HIS 2 HD2 HIS 2 8.420 12.075 -21.026 16 HE1 HIS 2 HE1 HIS 2 7.747 7.905 -21.417 17 H HIS 3 H HIS 3 6.160 10.484 -15.525 18 HA HIS 3 HA HIS 3 7.410 8.109 -14.708 19 HB2 HIS 3 2HB HIS 3 5.107 9.577 -13.992 20 HB3 HIS 3 3HB HIS 3 4.562 7.940 -14.342 21 HD1 HIS 3 HD1 HIS 3 4.515 6.553 -12.310 22 HD2 HIS 3 HD2 HIS 3 7.590 9.344 -12.187 23 HE1 HIS 3 HE1 HIS 3 5.667 6.187 -10.105 24 H HIS 4 H HIS 4 5.629 6.076 -14.736 25 HA HIS 4 HA HIS 4 5.209 5.507 -17.596 26 HB2 HIS 4 2HB HIS 4 7.177 4.330 -16.296 27 HB3 HIS 4 3HB HIS 4 5.881 3.306 -15.684 28 HD1 HIS 4 HD1 HIS 4 6.959 4.554 -19.124 29 HD2 HIS 4 HD2 HIS 4 5.571 1.126 -17.232 30 HE1 HIS 4 HE1 HIS 4 6.882 2.786 -20.910 31 H HIS 5 H HIS 5 3.244 6.557 -15.869 32 HA HIS 5 HA HIS 5 1.422 4.253 -15.628 33 HB2 HIS 5 2HB HIS 5 2.128 6.298 -13.697 34 HB3 HIS 5 3HB HIS 5 0.394 6.285 -14.006 35 HD1 HIS 5 HD1 HIS 5 -0.094 3.281 -14.304 36 HD2 HIS 5 HD2 HIS 5 2.295 4.952 -11.344 37 HE1 HIS 5 HE1 HIS 5 -0.037 1.584 -12.448 38 H HIS 6 H HIS 6 0.961 7.777 -15.507 39 HA HIS 6 HA HIS 6 -0.181 8.040 -18.063 40 HB2 HIS 6 2HB HIS 6 -1.908 6.617 -16.692 41 HB3 HIS 6 3HB HIS 6 -2.328 8.171 -15.978 42 HD1 HIS 6 HD1 HIS 6 -4.193 9.283 -17.138 43 HD2 HIS 6 HD2 HIS 6 -1.988 6.892 -19.723 44 HE1 HIS 6 HE1 HIS 6 -5.342 9.465 -19.368 45 H HIS 7 H HIS 7 -1.060 9.261 -14.826 46 HA HIS 7 HA HIS 7 0.074 11.860 -15.528 47 HB2 HIS 7 2HB HIS 7 -2.676 11.372 -15.698 48 HB3 HIS 7 3HB HIS 7 -2.461 12.221 -14.170 49 HD1 HIS 7 HD1 HIS 7 -0.127 14.095 -15.112 50 HD2 HIS 7 HD2 HIS 7 -3.688 13.466 -17.157 51 HE1 HIS 7 HE1 HIS 7 -0.435 16.123 -16.566 52 H GLU 8 H GLU 8 -0.677 13.341 -13.394 53 HA GLU 8 HA GLU 8 0.713 11.982 -11.217 54 HB2 GLU 8 2HB GLU 8 0.018 14.870 -11.731 55 HB3 GLU 8 3HB GLU 8 0.684 14.319 -10.200 56 HG2 GLU 8 2HG GLU 8 2.679 14.697 -11.091 57 HG3 GLU 8 3HG GLU 8 2.409 13.241 -12.048 58 H VAL 9 H VAL 9 -1.844 11.015 -11.634 59 HA VAL 9 HA VAL 9 -3.172 11.882 -9.162 60 HB VAL 9 HB VAL 9 -4.678 11.228 -11.695 61 HG11 VAL 9 1HG1 VAL 9 -6.400 10.981 -10.311 62 HG12 VAL 9 2HG1 VAL 9 -5.427 11.484 -8.928 63 HG13 VAL 9 3HG1 VAL 9 -6.255 12.692 -9.910 64 HG21 VAL 9 3HG2 VAL 9 -3.723 13.823 -10.577 65 HG22 VAL 9 1HG2 VAL 9 -3.807 13.280 -12.253 66 HG23 VAL 9 2HG2 VAL 9 -5.277 13.766 -11.408 67 HA PRO 10 HA PRO 10 -2.554 7.263 -9.434 68 HB2 PRO 10 2HB PRO 10 -1.385 7.022 -6.996 69 HB3 PRO 10 3HB PRO 10 -0.472 7.370 -8.469 70 HG2 PRO 10 2HG PRO 10 -1.414 9.247 -6.336 71 HG3 PRO 10 3HG PRO 10 0.153 9.191 -7.165 72 HD2 PRO 10 2HD PRO 10 -1.787 10.957 -7.835 73 HD3 PRO 10 3HD PRO 10 -0.649 10.291 -9.024 74 H GLN 11 H GLN 11 -4.919 7.358 -9.280 75 HA GLN 11 HA GLN 11 -5.896 6.099 -6.976 76 HB2 GLN 11 2HB GLN 11 -7.446 7.907 -6.186 77 HB3 GLN 11 3HB GLN 11 -5.746 8.197 -5.842 78 HG2 GLN 11 2HG GLN 11 -6.187 9.379 -8.322 79 HG3 GLN 11 3HG GLN 11 -7.611 9.776 -7.362 80 HE21 GLN 11 1HE2 GLN 11 -4.108 9.945 -7.472 81 HE22 GLN 11 2HE2 GLN 11 -3.952 11.288 -6.396 82 H THR 12 H THR 12 -6.648 8.132 -9.752 83 HA THR 12 HA THR 12 -8.513 6.187 -10.746 84 HB THR 12 HB THR 12 -9.699 8.912 -10.314 85 HG1 THR 12 HG1 THR 12 -10.690 8.027 -8.418 86 HG21 THR 12 3HG2 THR 12 -10.548 6.882 -11.833 87 HG22 THR 12 1HG2 THR 12 -11.655 7.971 -10.999 88 HG23 THR 12 2HG2 THR 12 -11.271 6.399 -10.299 89 H PHE 13 H PHE 13 -8.134 9.713 -11.135 90 HA PHE 13 HA PHE 13 -6.590 9.642 -13.457 91 HB2 PHE 13 2HB PHE 13 -8.398 10.279 -15.119 92 HB3 PHE 13 3HB PHE 13 -8.377 8.589 -14.624 93 HD1 PHE 13 HD1 PHE 13 -9.951 11.820 -13.623 94 HD2 PHE 13 HD2 PHE 13 -10.374 7.608 -14.068 95 HE1 PHE 13 HE1 PHE 13 -12.314 11.991 -12.961 96 HE2 PHE 13 HE2 PHE 13 -12.738 7.772 -13.408 97 HZ PHE 13 HZ PHE 13 -13.712 9.966 -12.854 98 H GLU 14 H GLU 14 -6.960 11.792 -14.782 99 HA GLU 14 HA GLU 14 -7.378 13.927 -12.796 100 HB2 GLU 14 2HB GLU 14 -5.060 13.414 -14.021 101 HB3 GLU 14 3HB GLU 14 -5.783 14.435 -15.255 102 HG2 GLU 14 2HG GLU 14 -5.902 15.443 -12.486 103 HG3 GLU 14 3HG GLU 14 -4.308 15.377 -13.235 104 H VAL 15 H VAL 15 -8.174 15.985 -13.622 105 HA VAL 15 HA VAL 15 -9.942 15.631 -15.955 106 HB VAL 15 HB VAL 15 -10.476 17.385 -13.555 107 HG11 VAL 15 1HG1 VAL 15 -12.860 16.984 -14.779 108 HG12 VAL 15 2HG1 VAL 15 -11.818 18.379 -15.063 109 HG13 VAL 15 3HG1 VAL 15 -11.771 17.003 -16.165 110 HG21 VAL 15 3HG2 VAL 15 -11.288 14.581 -14.200 111 HG22 VAL 15 1HG2 VAL 15 -10.741 15.266 -12.670 112 HG23 VAL 15 2HG2 VAL 15 -12.364 15.618 -13.263 113 H GLU 16 H GLU 16 -10.263 17.412 -17.327 114 HA GLU 16 HA GLU 16 -8.007 18.996 -17.825 115 HB2 GLU 16 2HB GLU 16 -9.910 18.339 -19.420 116 HB3 GLU 16 3HB GLU 16 -10.782 19.709 -18.748 117 HG2 GLU 16 2HG GLU 16 -9.596 20.183 -20.878 118 HG3 GLU 16 3HG GLU 16 -9.150 21.243 -19.542 119 H ARG 17 H ARG 17 -11.224 20.289 -17.008 120 HA ARG 17 HA ARG 17 -10.384 21.808 -14.794 121 HB2 ARG 17 2HB ARG 17 -9.971 23.922 -15.614 122 HB3 ARG 17 3HB ARG 17 -9.250 22.933 -16.876 123 HG2 ARG 17 2HG ARG 17 -11.978 24.206 -16.955 124 HG3 ARG 17 3HG ARG 17 -10.544 24.742 -17.833 125 HD2 ARG 17 2HD ARG 17 -10.691 22.134 -18.586 126 HD3 ARG 17 3HD ARG 17 -12.397 22.535 -18.398 127 HE ARG 17 HE ARG 17 -10.689 23.363 -20.499 128 HH11 ARG 17 1HH1 ARG 17 -13.307 24.469 -18.489 129 HH12 ARG 17 2HH1 ARG 17 -13.908 25.592 -19.664 130 HH21 ARG 17 1HH2 ARG 17 -11.471 24.837 -22.055 131 HH22 ARG 17 2HH2 ARG 17 -12.863 25.799 -21.692 132 H ILE 18 H ILE 18 -12.051 23.473 -14.175 133 HA ILE 18 HA ILE 18 -14.656 22.327 -14.494 134 HB ILE 18 HB ILE 18 -13.913 24.933 -13.161 135 HG12 ILE 18 2HG1 ILE 18 -12.774 22.757 -12.350 136 HG13 ILE 18 3HG1 ILE 18 -13.566 23.777 -11.154 137 HG21 ILE 18 1HG2 ILE 18 -16.009 24.508 -11.877 138 HG22 ILE 18 2HG2 ILE 18 -16.262 24.835 -13.591 139 HG23 ILE 18 3HG2 ILE 18 -16.357 23.181 -12.985 140 HD11 ILE 18 3HD1 ILE 18 -14.961 21.452 -12.430 141 HD12 ILE 18 1HD1 ILE 18 -13.948 21.274 -10.998 142 HD13 ILE 18 2HD1 ILE 18 -15.375 22.310 -10.946 143 H VAL 19 H VAL 19 -15.785 22.623 -16.300 144 HA VAL 19 HA VAL 19 -15.406 24.672 -18.166 145 HB VAL 19 HB VAL 19 -17.990 23.168 -17.769 146 HG11 VAL 19 1HG1 VAL 19 -16.839 23.902 -20.414 147 HG12 VAL 19 2HG1 VAL 19 -18.526 23.731 -19.923 148 HG13 VAL 19 3HG1 VAL 19 -17.608 25.161 -19.448 149 HG21 VAL 19 3HG2 VAL 19 -15.351 22.259 -18.806 150 HG22 VAL 19 1HG2 VAL 19 -16.562 21.381 -17.872 151 HG23 VAL 19 2HG2 VAL 19 -16.815 21.670 -19.594 152 H ARG 20 H ARG 20 -18.048 24.275 -15.801 153 HA ARG 20 HA ARG 20 -18.140 27.083 -15.267 154 HB2 ARG 20 2HB ARG 20 -20.453 27.443 -16.065 155 HB3 ARG 20 3HB ARG 20 -19.327 27.129 -17.378 156 HG2 ARG 20 2HG ARG 20 -20.619 24.723 -16.351 157 HG3 ARG 20 3HG ARG 20 -21.743 25.906 -17.024 158 HD2 ARG 20 2HD ARG 20 -19.679 25.871 -18.853 159 HD3 ARG 20 3HD ARG 20 -19.816 24.183 -18.362 160 HE ARG 20 HE ARG 20 -22.367 24.809 -18.855 161 HH11 ARG 20 1HH1 ARG 20 -19.462 25.376 -20.687 162 HH12 ARG 20 2HH1 ARG 20 -20.261 25.313 -22.222 163 HH21 ARG 20 1HH2 ARG 20 -23.432 24.724 -20.870 164 HH22 ARG 20 2HH2 ARG 20 -22.520 24.943 -22.326 165 H LYS 21 H LYS 21 -20.570 27.402 -14.159 166 HA LYS 21 HA LYS 21 -21.205 25.120 -12.484 167 HB2 LYS 21 2HB LYS 21 -20.752 26.184 -10.391 168 HB3 LYS 21 3HB LYS 21 -19.289 26.290 -11.362 169 HG2 LYS 21 2HG LYS 21 -19.617 28.581 -11.793 170 HG3 LYS 21 3HG LYS 21 -21.282 28.530 -11.211 171 HD2 LYS 21 2HD LYS 21 -19.912 27.654 -9.026 172 HD3 LYS 21 3HD LYS 21 -18.766 28.801 -9.724 173 HE2 LYS 21 2HE LYS 21 -21.616 29.321 -8.897 174 HE3 LYS 21 3HE LYS 21 -20.151 29.982 -8.172 175 HZ1 LYS 21 3HZ LYS 21 -20.895 31.693 -9.507 176 HZ2 LYS 21 1HZ LYS 21 -21.410 30.664 -10.747 177 HZ3 LYS 21 2HZ LYS 21 -19.759 30.942 -10.511 178 H LYS 22 H LYS 22 -23.141 25.437 -11.215 179 HA LYS 22 HA LYS 22 -24.698 27.797 -11.381 180 HB2 LYS 22 2HB LYS 22 -26.376 27.190 -12.943 181 HB3 LYS 22 3HB LYS 22 -24.838 26.915 -13.751 182 HG2 LYS 22 2HG LYS 22 -25.583 24.888 -14.248 183 HG3 LYS 22 3HG LYS 22 -25.412 24.490 -12.537 184 HD2 LYS 22 2HD LYS 22 -27.608 24.102 -12.523 185 HD3 LYS 22 3HD LYS 22 -27.830 25.845 -12.686 186 HE2 LYS 22 2HE LYS 22 -27.609 25.461 -15.200 187 HE3 LYS 22 3HE LYS 22 -27.816 23.748 -14.839 188 HZ1 LYS 22 3HZ LYS 22 -29.770 25.588 -13.697 189 HZ2 LYS 22 1HZ LYS 22 -29.983 24.026 -14.309 190 HZ3 LYS 22 2HZ LYS 22 -29.846 25.338 -15.368 191 H ILE 23 H ILE 23 -26.515 27.707 -10.073 192 HA ILE 23 HA ILE 23 -26.836 25.195 -8.568 193 HB ILE 23 HB ILE 23 -27.334 26.386 -6.633 194 HG12 ILE 23 2HG1 ILE 23 -27.522 29.055 -6.995 195 HG13 ILE 23 3HG1 ILE 23 -28.177 28.501 -8.532 196 HG21 ILE 23 1HG2 ILE 23 -24.956 26.738 -7.727 197 HG22 ILE 23 2HG2 ILE 23 -25.472 28.424 -7.732 198 HG23 ILE 23 3HG2 ILE 23 -25.402 27.528 -6.214 199 HD11 ILE 23 3HD1 ILE 23 -29.345 26.987 -6.417 200 HD12 ILE 23 1HD1 ILE 23 -29.487 28.707 -6.057 201 HD13 ILE 23 2HD1 ILE 23 -30.119 28.068 -7.575 202 H VAL 24 H VAL 24 -28.928 24.520 -7.975 203 HA VAL 24 HA VAL 24 -31.169 25.878 -9.297 204 HB VAL 24 HB VAL 24 -31.323 22.940 -9.360 205 HG11 VAL 24 1HG1 VAL 24 -32.727 23.323 -11.085 206 HG12 VAL 24 2HG1 VAL 24 -32.765 24.955 -10.415 207 HG13 VAL 24 3HG1 VAL 24 -31.707 24.584 -11.777 208 HG21 VAL 24 3HG2 VAL 24 -29.930 22.778 -11.407 209 HG22 VAL 24 1HG2 VAL 24 -29.364 24.422 -11.110 210 HG23 VAL 24 2HG2 VAL 24 -28.996 23.141 -9.955 211 H HIS 25 H HIS 25 -32.790 26.195 -7.930 212 HA HIS 25 HA HIS 25 -34.117 26.077 -6.085 213 HB2 HIS 25 2HB HIS 25 -34.299 23.677 -7.278 214 HB3 HIS 25 3HB HIS 25 -33.641 23.168 -5.726 215 HD1 HIS 25 HD1 HIS 25 -36.695 24.647 -7.294 216 HD2 HIS 25 HD2 HIS 25 -35.382 23.416 -3.550 217 HE1 HIS 25 HE1 HIS 25 -38.749 24.597 -5.844 218 H GLY 26 H GLY 26 -31.148 26.344 -5.792 219 HA2 GLY 26 2HA GLY 26 -30.021 26.936 -3.800 220 HA3 GLY 26 3HA GLY 26 -31.094 25.870 -2.904 221 H ASN 27 H ASN 27 -30.009 24.339 -5.674 222 HA ASN 27 HA ASN 27 -27.958 22.910 -4.122 223 HB2 ASN 27 2HB ASN 27 -29.642 21.975 -6.456 224 HB3 ASN 27 3HB ASN 27 -28.372 21.021 -5.694 225 HD21 ASN 27 1HD2 ASN 27 -31.588 21.442 -5.827 226 HD22 ASN 27 2HD2 ASN 27 -32.037 20.864 -4.262 227 H THR 28 H THR 28 -26.006 23.686 -4.611 228 HA THR 28 HA THR 28 -25.350 24.884 -7.106 229 HB THR 28 HB THR 28 -23.257 23.839 -5.229 230 HG1 THR 28 HG1 THR 28 -23.618 25.643 -3.902 231 HG21 THR 28 3HG2 THR 28 -22.908 25.159 -7.462 232 HG22 THR 28 1HG2 THR 28 -21.948 25.562 -6.040 233 HG23 THR 28 2HG2 THR 28 -23.340 26.555 -6.475 234 H SER 29 H SER 29 -24.107 24.119 -8.796 235 HA SER 29 HA SER 29 -23.241 21.331 -8.748 236 HB2 SER 29 2HB SER 29 -25.066 22.435 -10.897 237 HB3 SER 29 3HB SER 29 -24.354 20.822 -10.873 238 HG SER 29 HG SER 29 -25.758 20.208 -9.403 239 H TYR 30 H TYR 30 -21.291 21.130 -9.626 240 HA TYR 30 HA TYR 30 -20.261 23.349 -11.248 241 HB2 TYR 30 2HB TYR 30 -18.979 21.312 -9.465 242 HB3 TYR 30 3HB TYR 30 -18.030 22.064 -10.743 243 HD1 TYR 30 HD1 TYR 30 -20.607 23.411 -8.393 244 HD2 TYR 30 HD2 TYR 30 -16.600 23.618 -9.809 245 HE1 TYR 30 HE1 TYR 30 -20.200 25.353 -6.939 246 HE2 TYR 30 HE2 TYR 30 -16.182 25.560 -8.359 247 HH TYR 30 HH TYR 30 -18.753 26.917 -6.318 248 H LEU 31 H LEU 31 -19.989 23.093 -13.358 249 HA LEU 31 HA LEU 31 -20.236 20.423 -14.510 250 HB2 LEU 31 2HB LEU 31 -21.581 22.378 -15.332 251 HB3 LEU 31 3HB LEU 31 -20.078 23.068 -15.942 252 HG LEU 31 HG LEU 31 -19.823 21.209 -17.485 253 HD11 LEU 31 1HD1 LEU 31 -20.763 19.254 -17.037 254 HD12 LEU 31 2HD1 LEU 31 -22.335 19.959 -17.411 255 HD13 LEU 31 3HD1 LEU 31 -21.737 19.970 -15.752 256 HD21 LEU 31 3HD2 LEU 31 -20.964 22.614 -18.788 257 HD22 LEU 31 1HD2 LEU 31 -22.082 23.037 -17.491 258 HD23 LEU 31 2HD2 LEU 31 -22.371 21.598 -18.469 259 H VAL 32 H VAL 32 -18.439 19.299 -14.824 260 HA VAL 32 HA VAL 32 -16.032 20.728 -15.748 261 HB VAL 32 HB VAL 32 -15.888 19.848 -13.379 262 HG11 VAL 32 1HG1 VAL 32 -15.522 17.461 -13.078 263 HG12 VAL 32 2HG1 VAL 32 -17.125 17.763 -13.752 264 HG13 VAL 32 3HG1 VAL 32 -15.824 17.184 -14.793 265 HG21 VAL 32 3HG2 VAL 32 -13.626 18.812 -13.765 266 HG22 VAL 32 1HG2 VAL 32 -13.959 18.914 -15.494 267 HG23 VAL 32 2HG2 VAL 32 -13.874 20.384 -14.524 268 H LYS 33 H LYS 33 -14.832 19.781 -17.363 269 HA LYS 33 HA LYS 33 -16.195 17.681 -18.860 270 HB2 LYS 33 2HB LYS 33 -14.572 18.269 -20.660 271 HB3 LYS 33 3HB LYS 33 -15.576 19.617 -20.144 272 HG2 LYS 33 2HG LYS 33 -13.746 20.491 -18.802 273 HG3 LYS 33 3HG LYS 33 -12.736 19.121 -19.271 274 HD2 LYS 33 2HD LYS 33 -12.056 20.809 -20.722 275 HD3 LYS 33 3HD LYS 33 -13.209 19.885 -21.689 276 HE2 LYS 33 2HE LYS 33 -14.959 21.509 -21.141 277 HE3 LYS 33 3HE LYS 33 -13.802 22.431 -20.182 278 HZ1 LYS 33 3HZ LYS 33 -12.488 22.764 -22.208 279 HZ2 LYS 33 1HZ LYS 33 -14.045 23.412 -22.351 280 HZ3 LYS 33 2HZ LYS 33 -13.665 21.948 -23.109 281 H TRP 34 H TRP 34 -14.163 16.518 -20.251 282 HA TRP 34 HA TRP 34 -12.440 15.310 -18.194 283 HB2 TRP 34 2HB TRP 34 -13.737 13.727 -20.413 284 HB3 TRP 34 3HB TRP 34 -12.858 13.110 -19.017 285 HD1 TRP 34 HD1 TRP 34 -14.328 14.686 -16.709 286 HE1 TRP 34 HE1 TRP 34 -16.769 14.121 -16.122 287 HE3 TRP 34 HE3 TRP 34 -15.726 12.470 -21.099 288 HZ2 TRP 34 HZ2 TRP 34 -18.993 12.898 -17.356 289 HZ3 TRP 34 HZ3 TRP 34 -18.028 11.629 -21.314 290 HH2 TRP 34 HH2 TRP 34 -19.626 11.838 -19.480 291 H LYS 35 H LYS 35 -10.521 16.171 -18.784 292 HA LYS 35 HA LYS 35 -8.795 16.870 -20.145 293 HB2 LYS 35 2HB LYS 35 -7.663 14.999 -21.175 294 HB3 LYS 35 3HB LYS 35 -8.352 14.482 -19.642 295 HG2 LYS 35 2HG LYS 35 -9.985 14.075 -22.081 296 HG3 LYS 35 3HG LYS 35 -8.571 13.043 -21.854 297 HD2 LYS 35 2HD LYS 35 -10.220 13.355 -19.455 298 HD3 LYS 35 3HD LYS 35 -11.052 12.577 -20.803 299 HE2 LYS 35 2HE LYS 35 -9.926 10.959 -19.327 300 HE3 LYS 35 3HE LYS 35 -9.300 10.919 -20.974 301 HZ1 LYS 35 3HZ LYS 35 -7.583 10.859 -19.183 302 HZ2 LYS 35 1HZ LYS 35 -8.010 12.446 -18.784 303 HZ3 LYS 35 2HZ LYS 35 -7.375 12.101 -20.313 304 H ASN 36 H ASN 36 -11.181 17.773 -21.235 305 HA ASN 36 HA ASN 36 -12.027 18.664 -23.149 306 HB2 ASN 36 2HB ASN 36 -9.194 18.357 -23.633 307 HB3 ASN 36 3HB ASN 36 -10.102 18.139 -25.127 308 HD21 ASN 36 1HD2 ASN 36 -10.838 20.187 -22.349 309 HD22 ASN 36 2HD2 ASN 36 -10.787 21.682 -23.213 310 H TYR 37 H TYR 37 -13.196 16.408 -22.693 311 HA TYR 37 HA TYR 37 -12.928 14.670 -25.036 312 HB2 TYR 37 2HB TYR 37 -12.938 13.445 -22.987 313 HB3 TYR 37 3HB TYR 37 -14.344 14.321 -22.393 314 HD1 TYR 37 HD2 TYR 37 -16.582 13.813 -23.257 315 HD2 TYR 37 HD1 TYR 37 -13.173 11.606 -24.528 316 HE1 TYR 37 HE2 TYR 37 -18.058 12.065 -24.158 317 HE2 TYR 37 HE1 TYR 37 -14.640 9.852 -25.434 318 HH TYR 37 HH TYR 37 -17.212 9.879 -26.316 319 H SER 38 H SER 38 -15.336 16.570 -23.263 320 HA SER 38 HA SER 38 -17.079 16.430 -25.637 321 HB2 SER 38 2HB SER 38 -17.643 16.028 -22.810 322 HB3 SER 38 3HB SER 38 -18.678 17.269 -23.516 323 HG SER 38 HG SER 38 -19.106 15.690 -25.215 324 H SER 39 H SER 39 -16.319 18.509 -22.841 325 HA SER 39 HA SER 39 -15.926 20.758 -22.719 326 HB2 SER 39 2HB SER 39 -14.893 20.299 -25.082 327 HB3 SER 39 3HB SER 39 -16.354 21.093 -25.670 328 HG SER 39 HG SER 39 -15.489 22.921 -25.139 329 H LYS 40 H LYS 40 -18.311 20.187 -25.312 330 HA LYS 40 HA LYS 40 -20.003 22.305 -24.307 331 HB2 LYS 40 2HB LYS 40 -21.221 22.092 -26.266 332 HB3 LYS 40 3HB LYS 40 -19.618 21.583 -26.781 333 HG2 LYS 40 2HG LYS 40 -21.835 19.710 -25.979 334 HG3 LYS 40 3HG LYS 40 -21.429 20.146 -27.641 335 HD2 LYS 40 2HD LYS 40 -19.182 19.219 -27.330 336 HD3 LYS 40 3HD LYS 40 -19.592 18.783 -25.670 337 HE2 LYS 40 2HE LYS 40 -20.680 16.939 -26.315 338 HE3 LYS 40 3HE LYS 40 -21.518 17.788 -27.613 339 HZ1 LYS 40 3HZ LYS 40 -19.511 17.582 -28.968 340 HZ2 LYS 40 1HZ LYS 40 -20.105 16.067 -28.505 341 HZ3 LYS 40 2HZ LYS 40 -18.751 16.717 -27.729 342 H ASP 41 H ASP 41 -19.616 18.984 -23.743 343 HA ASP 41 HA ASP 41 -22.361 18.708 -22.734 344 HB2 ASP 41 2HB ASP 41 -20.558 16.915 -24.064 345 HB3 ASP 41 3HB ASP 41 -20.956 16.262 -22.477 346 H ASN 42 H ASN 42 -19.325 17.197 -21.684 347 HA ASN 42 HA ASN 42 -18.415 16.902 -19.619 348 HB2 ASN 42 2HB ASN 42 -19.510 19.394 -18.488 349 HB3 ASN 42 3HB ASN 42 -17.840 18.843 -18.599 350 HD21 ASN 42 1HD2 ASN 42 -19.646 21.299 -19.416 351 HD22 ASN 42 2HD2 ASN 42 -18.974 21.735 -20.947 352 H THR 43 H THR 43 -18.934 16.906 -17.184 353 HA THR 43 HA THR 43 -21.732 16.044 -16.855 354 HB THR 43 HB THR 43 -20.247 14.175 -16.550 355 HG1 THR 43 HG1 THR 43 -20.910 15.031 -13.925 356 HG21 THR 43 3HG2 THR 43 -18.827 15.813 -14.447 357 HG22 THR 43 1HG2 THR 43 -18.202 15.486 -16.063 358 HG23 THR 43 2HG2 THR 43 -18.448 14.159 -14.928 359 H TRP 44 H TRP 44 -22.649 16.323 -14.679 360 HA TRP 44 HA TRP 44 -21.743 18.861 -13.502 361 HB2 TRP 44 2HB TRP 44 -24.442 17.614 -13.034 362 HB3 TRP 44 3HB TRP 44 -23.964 19.301 -12.863 363 HD1 TRP 44 HD1 TRP 44 -23.925 20.799 -15.062 364 HE1 TRP 44 HE1 TRP 44 -24.933 20.463 -17.406 365 HE3 TRP 44 HE3 TRP 44 -24.962 15.800 -14.792 366 HZ2 TRP 44 HZ2 TRP 44 -26.024 18.358 -18.938 367 HZ3 TRP 44 HZ3 TRP 44 -25.988 14.701 -16.739 368 HH2 TRP 44 HH2 TRP 44 -26.508 15.956 -18.769 369 H GLU 45 H GLU 45 -21.006 18.924 -11.473 370 HA GLU 45 HA GLU 45 -21.581 16.659 -9.690 371 HB2 GLU 45 2HB GLU 45 -18.885 17.869 -10.292 372 HB3 GLU 45 3HB GLU 45 -19.190 16.901 -8.856 373 HG2 GLU 45 2HG GLU 45 -20.072 15.624 -11.322 374 HG3 GLU 45 3HG GLU 45 -18.341 15.955 -11.276 375 H THR 46 H THR 46 -22.408 17.317 -7.829 376 HA THR 46 HA THR 46 -23.052 19.833 -7.082 377 HB THR 46 HB THR 46 -22.536 18.810 -4.615 378 HG1 THR 46 HG1 THR 46 -23.037 16.499 -4.910 379 HG21 THR 46 3HG2 THR 46 -24.720 19.483 -5.220 380 HG22 THR 46 1HG2 THR 46 -24.848 17.771 -4.817 381 HG23 THR 46 2HG2 THR 46 -24.818 18.280 -6.505 382 H GLU 47 H GLU 47 -22.189 21.463 -5.767 383 HA GLU 47 HA GLU 47 -19.488 22.070 -6.154 384 HB2 GLU 47 2HB GLU 47 -20.886 23.904 -5.752 385 HB3 GLU 47 3HB GLU 47 -21.605 23.163 -4.329 386 HG2 GLU 47 2HG GLU 47 -19.554 23.489 -3.085 387 HG3 GLU 47 3HG GLU 47 -18.770 24.157 -4.516 388 H ASP 48 H ASP 48 -21.029 20.120 -3.785 389 HA ASP 48 HA ASP 48 -18.700 20.190 -2.015 390 HB2 ASP 48 2HB ASP 48 -21.215 20.239 -1.268 391 HB3 ASP 48 3HB ASP 48 -21.119 18.496 -1.504 392 H ASP 49 H ASP 49 -19.715 18.533 -4.691 393 HA ASP 49 HA ASP 49 -18.252 16.101 -3.896 394 HB2 ASP 49 2HB ASP 49 -20.761 15.965 -4.552 395 HB3 ASP 49 3HB ASP 49 -20.179 16.191 -6.200 396 H ILE 50 H ILE 50 -18.082 18.867 -5.729 397 HA ILE 50 HA ILE 50 -16.468 17.662 -7.852 398 HB ILE 50 HB ILE 50 -18.148 19.322 -8.523 399 HG12 ILE 50 2HG1 ILE 50 -16.058 21.017 -9.315 400 HG13 ILE 50 3HG1 ILE 50 -15.317 19.434 -9.112 401 HG21 ILE 50 1HG2 ILE 50 -17.519 20.644 -6.252 402 HG22 ILE 50 2HG2 ILE 50 -16.641 21.604 -7.441 403 HG23 ILE 50 3HG2 ILE 50 -18.380 21.367 -7.610 404 HD11 ILE 50 3HD1 ILE 50 -16.116 19.883 -11.406 405 HD12 ILE 50 1HD1 ILE 50 -16.848 18.457 -10.671 406 HD13 ILE 50 2HD1 ILE 50 -17.763 19.961 -10.779 407 H ARG 51 H ARG 51 -16.226 19.849 -5.109 408 HA ARG 51 HA ARG 51 -13.485 20.541 -5.623 409 HB2 ARG 51 2HB ARG 51 -13.691 22.017 -3.901 410 HB3 ARG 51 3HB ARG 51 -15.402 21.772 -4.226 411 HG2 ARG 51 2HG ARG 51 -13.870 20.199 -2.173 412 HG3 ARG 51 3HG ARG 51 -14.738 21.693 -1.813 413 HD2 ARG 51 2HD ARG 51 -16.825 20.717 -2.414 414 HD3 ARG 51 3HD ARG 51 -16.033 19.294 -3.090 415 HE ARG 51 HE ARG 51 -15.992 18.399 -0.996 416 HH11 ARG 51 1HH1 ARG 51 -16.336 21.852 -0.717 417 HH12 ARG 51 2HH1 ARG 51 -16.530 21.825 1.005 418 HH21 ARG 51 1HH2 ARG 51 -16.246 18.350 1.271 419 HH22 ARG 51 2HH2 ARG 51 -16.478 19.833 2.134 420 H THR 52 H THR 52 -15.106 17.930 -4.141 421 HA THR 52 HA THR 52 -12.861 17.176 -2.456 422 HB THR 52 HB THR 52 -15.184 16.797 -1.675 423 HG1 THR 52 HG1 THR 52 -14.468 15.090 -0.628 424 HG21 THR 52 3HG2 THR 52 -15.512 14.411 -3.376 425 HG22 THR 52 1HG2 THR 52 -15.727 15.960 -4.189 426 HG23 THR 52 2HG2 THR 52 -16.715 15.556 -2.785 427 H LYS 53 H LYS 53 -14.238 16.367 -5.552 428 HA LYS 53 HA LYS 53 -12.371 14.123 -5.852 429 HB2 LYS 53 2HB LYS 53 -14.679 14.959 -7.618 430 HB3 LYS 53 3HB LYS 53 -13.692 13.519 -7.828 431 HG2 LYS 53 2HG LYS 53 -14.612 12.462 -5.981 432 HG3 LYS 53 3HG LYS 53 -15.193 13.975 -5.281 433 HD2 LYS 53 2HD LYS 53 -17.175 13.277 -6.109 434 HD3 LYS 53 3HD LYS 53 -16.555 13.976 -7.607 435 HE2 LYS 53 2HE LYS 53 -15.798 11.175 -7.036 436 HE3 LYS 53 3HE LYS 53 -17.492 11.469 -7.424 437 HZ1 LYS 53 3HZ LYS 53 -15.379 12.605 -9.130 438 HZ2 LYS 53 1HZ LYS 53 -16.975 12.207 -9.527 439 HZ3 LYS 53 2HZ LYS 53 -15.826 10.984 -9.314 440 H TYR 54 H TYR 54 -13.195 17.272 -7.146 441 HA TYR 54 HA TYR 54 -10.731 17.185 -8.753 442 HB2 TYR 54 2HB TYR 54 -13.166 18.733 -9.610 443 HB3 TYR 54 3HB TYR 54 -11.756 18.292 -10.567 444 HD1 TYR 54 HD1 TYR 54 -11.393 15.556 -10.494 445 HD2 TYR 54 HD2 TYR 54 -15.093 17.639 -10.216 446 HE1 TYR 54 HE1 TYR 54 -12.571 13.560 -11.317 447 HE2 TYR 54 HE2 TYR 54 -16.281 15.648 -11.037 448 HH TYR 54 HH TYR 54 -14.521 12.724 -12.000 449 H GLY 55 H GLY 55 -11.116 18.175 -6.068 450 HA2 GLY 55 2HA GLY 55 -11.534 20.891 -5.810 451 HA3 GLY 55 3HA GLY 55 -10.404 19.973 -4.826 452 H ASP 56 H ASP 56 -8.925 19.290 -7.398 453 HA ASP 56 HA ASP 56 -6.918 21.228 -7.196 454 HB2 ASP 56 2HB ASP 56 -7.259 18.793 -8.532 455 HB3 ASP 56 3HB ASP 56 -6.947 19.969 -9.806 456 H LEU 57 H LEU 57 -9.318 20.760 -9.791 457 HA LEU 57 HA LEU 57 -8.631 23.300 -10.986 458 HB2 LEU 57 2HB LEU 57 -10.782 22.615 -12.363 459 HB3 LEU 57 3HB LEU 57 -9.204 21.891 -12.666 460 HG LEU 57 HG LEU 57 -10.975 20.508 -10.731 461 HD11 LEU 57 1HD1 LEU 57 -11.914 21.239 -13.313 462 HD12 LEU 57 2HD1 LEU 57 -12.687 20.215 -12.104 463 HD13 LEU 57 3HD1 LEU 57 -11.603 19.503 -13.299 464 HD21 LEU 57 3HD2 LEU 57 -8.705 19.717 -11.322 465 HD22 LEU 57 1HD2 LEU 57 -9.240 19.518 -12.990 466 HD23 LEU 57 2HD2 LEU 57 -9.968 18.549 -11.709 467 H VAL 58 H VAL 58 -11.146 21.979 -8.944 468 HA VAL 58 HA VAL 58 -13.121 23.904 -9.190 469 HB VAL 58 HB VAL 58 -12.275 22.431 -6.691 470 HG11 VAL 58 1HG1 VAL 58 -14.893 22.872 -6.336 471 HG12 VAL 58 2HG1 VAL 58 -13.642 23.964 -5.738 472 HG13 VAL 58 3HG1 VAL 58 -14.477 24.322 -7.250 473 HG21 VAL 58 3HG2 VAL 58 -13.477 21.534 -9.095 474 HG22 VAL 58 1HG2 VAL 58 -13.181 20.626 -7.611 475 HG23 VAL 58 2HG2 VAL 58 -14.706 21.485 -7.830 476 H ASP 59 H ASP 59 -10.213 23.938 -7.174 477 HA ASP 59 HA ASP 59 -10.850 26.508 -6.030 478 HB2 ASP 59 2HB ASP 59 -8.456 24.685 -5.859 479 HB3 ASP 59 3HB ASP 59 -8.453 26.293 -5.141 480 H ASP 60 H ASP 60 -10.054 25.756 -9.033 481 HA ASP 60 HA ASP 60 -8.232 28.045 -9.386 482 HB2 ASP 60 2HB ASP 60 -8.003 25.416 -10.326 483 HB3 ASP 60 3HB ASP 60 -8.484 26.364 -11.730 484 H PHE 61 H PHE 61 -11.347 26.793 -10.043 485 HA PHE 61 HA PHE 61 -11.829 28.770 -12.153 486 HB2 PHE 61 2HB PHE 61 -12.595 26.584 -12.754 487 HB3 PHE 61 3HB PHE 61 -13.417 26.381 -11.211 488 HD1 PHE 61 HD2 PHE 61 -13.522 28.056 -14.475 489 HD2 PHE 61 HD1 PHE 61 -15.582 27.313 -10.826 490 HE1 PHE 61 HE2 PHE 61 -15.594 28.932 -15.471 491 HE2 PHE 61 HE1 PHE 61 -17.658 28.186 -11.816 492 HZ PHE 61 HZ PHE 61 -17.666 28.998 -14.141 493 H GLU 62 H GLU 62 -13.513 27.549 -9.252 494 HA GLU 62 HA GLU 62 -15.269 29.738 -9.033 495 HB2 GLU 62 2HB GLU 62 -15.919 28.840 -6.946 496 HB3 GLU 62 3HB GLU 62 -15.493 27.455 -7.942 497 HG2 GLU 62 2HG GLU 62 -14.392 26.856 -6.069 498 HG3 GLU 62 3HG GLU 62 -13.131 27.857 -6.787 499 H LYS 63 H LYS 63 -12.051 29.149 -7.764 500 HA LYS 63 HA LYS 63 -12.009 31.354 -5.968 501 HB2 LYS 63 2HB LYS 63 -9.766 29.786 -7.251 502 HB3 LYS 63 3HB LYS 63 -9.533 30.995 -5.995 503 HG2 LYS 63 2HG LYS 63 -11.130 28.456 -5.717 504 HG3 LYS 63 3HG LYS 63 -9.505 28.735 -5.086 505 HD2 LYS 63 2HD LYS 63 -10.492 30.687 -3.803 506 HD3 LYS 63 3HD LYS 63 -12.078 30.057 -4.252 507 HE2 LYS 63 2HE LYS 63 -11.508 27.918 -3.180 508 HE3 LYS 63 3HE LYS 63 -9.949 28.586 -2.701 509 HZ1 LYS 63 3HZ LYS 63 -11.817 30.390 -1.807 510 HZ2 LYS 63 1HZ LYS 63 -10.952 29.281 -0.866 511 HZ3 LYS 63 2HZ LYS 63 -12.486 28.877 -1.453 512 H ASN 64 H ASN 64 -11.959 31.185 -9.321 513 HA ASN 64 HA ASN 64 -10.455 33.683 -9.614 514 HB2 ASN 64 2HB ASN 64 -11.349 31.568 -11.560 515 HB3 ASN 64 3HB ASN 64 -10.829 33.157 -12.116 516 HD21 ASN 64 1HD2 ASN 64 -9.614 31.173 -9.457 517 HD22 ASN 64 2HD2 ASN 64 -8.004 31.027 -10.069 518 H GLN 65 H GLN 65 -13.620 32.253 -10.281 519 HA GLN 65 HA GLN 65 -14.678 34.767 -11.254 520 HB2 GLN 65 2HB GLN 65 -16.684 33.578 -11.721 521 HB3 GLN 65 3HB GLN 65 -15.356 32.512 -12.159 522 HG2 GLN 65 2HG GLN 65 -16.722 31.061 -11.051 523 HG3 GLN 65 3HG GLN 65 -15.680 31.597 -9.735 524 HE21 GLN 65 1HE2 GLN 65 -18.514 32.999 -11.346 525 HE22 GLN 65 2HE2 GLN 65 -19.432 33.233 -9.902 526 H LYS 66 H LYS 66 -14.060 33.506 -8.260 527 HA LYS 66 HA LYS 66 -16.330 34.045 -6.743 528 HB2 LYS 66 2HB LYS 66 -14.729 34.355 -4.841 529 HB3 LYS 66 3HB LYS 66 -14.495 32.869 -5.753 530 HG2 LYS 66 2HG LYS 66 -12.336 33.598 -5.486 531 HG3 LYS 66 3HG LYS 66 -12.741 34.271 -7.067 532 HD2 LYS 66 2HD LYS 66 -12.535 36.374 -6.333 533 HD3 LYS 66 3HD LYS 66 -13.465 36.039 -4.871 534 HE2 LYS 66 2HE LYS 66 -11.474 36.440 -3.875 535 HE3 LYS 66 3HE LYS 66 -11.204 34.741 -4.258 536 HZ1 LYS 66 3HZ LYS 66 -9.332 36.145 -4.909 537 HZ2 LYS 66 1HZ LYS 66 -10.339 37.027 -5.944 538 HZ3 LYS 66 2HZ LYS 66 -10.035 35.392 -6.251 539 H LYS 67 H LYS 67 -14.003 36.200 -8.155 540 HA LYS 67 HA LYS 67 -14.416 38.479 -6.580 541 HB2 LYS 67 2HB LYS 67 -13.178 37.844 -9.128 542 HB3 LYS 67 3HB LYS 67 -13.974 39.412 -9.173 543 HG2 LYS 67 2HG LYS 67 -12.220 38.784 -6.858 544 HG3 LYS 67 3HG LYS 67 -11.472 39.163 -8.411 545 HD2 LYS 67 2HD LYS 67 -11.640 41.288 -7.670 546 HD3 LYS 67 3HD LYS 67 -13.298 41.144 -8.259 547 HE2 LYS 67 2HE LYS 67 -14.174 41.071 -6.171 548 HE3 LYS 67 3HE LYS 67 -12.796 40.195 -5.507 549 HZ1 LYS 67 3HZ LYS 67 -12.488 43.008 -6.314 550 HZ2 LYS 67 1HZ LYS 67 -11.623 42.126 -5.157 551 HZ3 LYS 67 2HZ LYS 67 -13.200 42.638 -4.825 Start of MODEL 8 1 H1 MET 1 H MET 1 4.339 22.645 -3.940 2 HA MET 1 HA MET 1 2.216 23.064 -5.509 3 HB2 MET 1 2HB MET 1 4.694 23.865 -7.033 4 HB3 MET 1 3HB MET 1 3.188 23.415 -7.823 5 HG2 MET 1 2HG MET 1 2.700 25.389 -5.797 6 HG3 MET 1 3HG MET 1 3.952 25.939 -6.908 7 HE1 MET 1 3HE MET 1 0.646 27.732 -7.977 8 HE2 MET 1 1HE MET 1 0.317 26.763 -6.540 9 HE3 MET 1 2HE MET 1 1.832 27.655 -6.673 10 H HIS 2 H HIS 2 1.592 21.212 -6.534 11 HA HIS 2 HA HIS 2 1.609 19.028 -7.169 12 HB2 HIS 2 2HB HIS 2 4.570 19.387 -7.649 13 HB3 HIS 2 3HB HIS 2 3.510 18.186 -8.379 14 HD1 HIS 2 HD1 HIS 2 5.274 20.727 -9.631 15 HD2 HIS 2 HD2 HIS 2 1.160 20.168 -9.483 16 HE1 HIS 2 HE1 HIS 2 4.335 22.158 -11.474 17 H HIS 3 H HIS 3 2.502 16.849 -6.600 18 HA HIS 3 HA HIS 3 4.007 16.806 -4.093 19 HB2 HIS 3 2HB HIS 3 1.222 15.729 -4.481 20 HB3 HIS 3 3HB HIS 3 2.294 15.082 -3.243 21 HD1 HIS 3 HD1 HIS 3 0.420 18.204 -4.176 22 HD2 HIS 3 HD2 HIS 3 2.595 16.664 -0.988 23 HE1 HIS 3 HE1 HIS 3 0.028 19.791 -2.265 24 H HIS 4 H HIS 4 4.500 16.020 -6.902 25 HA HIS 4 HA HIS 4 5.489 14.335 -8.068 26 HB2 HIS 4 2HB HIS 4 5.913 13.100 -5.340 27 HB3 HIS 4 3HB HIS 4 6.797 12.710 -6.812 28 HD1 HIS 4 HD1 HIS 4 7.203 14.560 -3.840 29 HD2 HIS 4 HD2 HIS 4 8.099 15.289 -7.831 30 HE1 HIS 4 HE1 HIS 4 8.951 16.369 -3.817 31 H HIS 5 H HIS 5 3.543 13.693 -9.069 32 HA HIS 5 HA HIS 5 2.582 11.073 -8.159 33 HB2 HIS 5 2HB HIS 5 0.988 13.537 -8.623 34 HB3 HIS 5 3HB HIS 5 0.303 12.025 -9.211 35 HD1 HIS 5 HD1 HIS 5 1.040 10.123 -6.955 36 HD2 HIS 5 HD2 HIS 5 -0.389 13.974 -6.329 37 HE1 HIS 5 HE1 HIS 5 0.059 10.108 -4.640 38 H HIS 6 H HIS 6 1.668 9.751 -9.839 39 HA HIS 6 HA HIS 6 2.768 10.420 -12.481 40 HB2 HIS 6 2HB HIS 6 3.379 8.259 -11.111 41 HB3 HIS 6 3HB HIS 6 1.850 7.665 -11.753 42 HD1 HIS 6 HD1 HIS 6 5.362 8.308 -12.674 43 HD2 HIS 6 HD2 HIS 6 1.797 7.400 -14.605 44 HE1 HIS 6 HE1 HIS 6 6.018 7.585 -14.992 45 H HIS 7 H HIS 7 0.186 11.362 -11.418 46 HA HIS 7 HA HIS 7 -1.931 11.717 -12.170 47 HB2 HIS 7 2HB HIS 7 -0.436 10.858 -14.530 48 HB3 HIS 7 3HB HIS 7 -2.156 10.497 -14.643 49 HD1 HIS 7 HD1 HIS 7 -3.795 12.542 -14.595 50 HD2 HIS 7 HD2 HIS 7 0.236 13.534 -14.753 51 HE1 HIS 7 HE1 HIS 7 -3.726 14.974 -15.234 52 H GLU 8 H GLU 8 -3.983 10.614 -12.712 53 HA GLU 8 HA GLU 8 -4.133 7.773 -12.745 54 HB2 GLU 8 2HB GLU 8 -3.546 8.523 -10.287 55 HB3 GLU 8 3HB GLU 8 -5.262 8.900 -10.217 56 HG2 GLU 8 2HG GLU 8 -5.802 6.599 -10.807 57 HG3 GLU 8 3HG GLU 8 -4.084 6.215 -10.899 58 H VAL 9 H VAL 9 -5.535 8.117 -14.452 59 HA VAL 9 HA VAL 9 -8.191 9.132 -13.690 60 HB VAL 9 HB VAL 9 -6.876 9.572 -16.374 61 HG11 VAL 9 1HG1 VAL 9 -9.610 10.014 -15.312 62 HG12 VAL 9 2HG1 VAL 9 -8.945 11.238 -16.395 63 HG13 VAL 9 3HG1 VAL 9 -9.083 9.564 -16.933 64 HG21 VAL 9 3HG2 VAL 9 -5.918 11.370 -15.486 65 HG22 VAL 9 1HG2 VAL 9 -7.522 12.014 -15.135 66 HG23 VAL 9 2HG2 VAL 9 -6.676 11.047 -13.927 67 HA PRO 10 HA PRO 10 -8.431 4.813 -15.399 68 HB2 PRO 10 2HB PRO 10 -10.057 3.873 -13.438 69 HB3 PRO 10 3HB PRO 10 -8.295 3.885 -13.301 70 HG2 PRO 10 2HG PRO 10 -10.295 5.808 -12.178 71 HG3 PRO 10 3HG PRO 10 -8.857 5.113 -11.408 72 HD2 PRO 10 2HD PRO 10 -8.890 7.615 -12.443 73 HD3 PRO 10 3HD PRO 10 -7.431 6.602 -12.437 74 H GLN 11 H GLN 11 -9.649 6.192 -17.008 75 HA GLN 11 HA GLN 11 -12.248 5.225 -17.347 76 HB2 GLN 11 2HB GLN 11 -13.497 7.399 -17.102 77 HB3 GLN 11 3HB GLN 11 -12.986 6.656 -15.593 78 HG2 GLN 11 2HG GLN 11 -10.899 8.361 -16.362 79 HG3 GLN 11 3HG GLN 11 -12.394 9.255 -16.632 80 HE21 GLN 11 1HE2 GLN 11 -10.385 7.668 -14.274 81 HE22 GLN 11 2HE2 GLN 11 -11.127 8.365 -12.878 82 H THR 12 H THR 12 -9.973 7.824 -18.011 83 HA THR 12 HA THR 12 -10.363 7.437 -20.859 84 HB THR 12 HB THR 12 -10.594 9.921 -21.248 85 HG1 THR 12 HG1 THR 12 -11.368 9.916 -18.503 86 HG21 THR 12 3HG2 THR 12 -12.480 8.101 -21.164 87 HG22 THR 12 1HG2 THR 12 -12.899 9.809 -21.278 88 HG23 THR 12 2HG2 THR 12 -12.985 8.982 -19.723 89 H PHE 13 H PHE 13 -9.003 10.157 -19.027 90 HA PHE 13 HA PHE 13 -6.323 9.297 -19.116 91 HB2 PHE 13 2HB PHE 13 -5.683 11.198 -20.833 92 HB3 PHE 13 3HB PHE 13 -6.115 9.586 -21.393 93 HD1 PHE 13 HD1 PHE 13 -7.412 13.011 -20.891 94 HD2 PHE 13 HD2 PHE 13 -7.973 9.242 -22.787 95 HE1 PHE 13 HE1 PHE 13 -9.199 13.978 -22.278 96 HE2 PHE 13 HE2 PHE 13 -9.760 10.203 -24.177 97 HZ PHE 13 HZ PHE 13 -10.375 12.574 -23.924 98 H GLU 14 H GLU 14 -8.459 12.118 -19.274 99 HA GLU 14 HA GLU 14 -7.884 13.139 -16.790 100 HB2 GLU 14 2HB GLU 14 -6.377 15.099 -17.502 101 HB3 GLU 14 3HB GLU 14 -5.625 13.531 -17.246 102 HG2 GLU 14 2HG GLU 14 -5.433 13.139 -19.569 103 HG3 GLU 14 3HG GLU 14 -6.477 14.505 -19.955 104 H VAL 15 H VAL 15 -7.988 15.828 -17.035 105 HA VAL 15 HA VAL 15 -10.144 16.407 -18.942 106 HB VAL 15 HB VAL 15 -10.268 17.246 -16.045 107 HG11 VAL 15 1HG1 VAL 15 -11.642 18.759 -16.995 108 HG12 VAL 15 2HG1 VAL 15 -11.860 17.799 -18.460 109 HG13 VAL 15 3HG1 VAL 15 -12.785 17.417 -17.008 110 HG21 VAL 15 3HG2 VAL 15 -10.696 15.015 -15.786 111 HG22 VAL 15 1HG2 VAL 15 -12.313 15.581 -16.203 112 HG23 VAL 15 2HG2 VAL 15 -11.299 14.825 -17.432 113 H GLU 16 H GLU 16 -10.409 18.633 -19.449 114 HA GLU 16 HA GLU 16 -7.971 20.079 -19.567 115 HB2 GLU 16 2HB GLU 16 -10.543 20.225 -20.774 116 HB3 GLU 16 3HB GLU 16 -10.186 21.803 -20.086 117 HG2 GLU 16 2HG GLU 16 -8.118 20.428 -21.730 118 HG3 GLU 16 3HG GLU 16 -9.476 21.220 -22.526 119 H ARG 17 H ARG 17 -11.061 21.212 -18.201 120 HA ARG 17 HA ARG 17 -10.029 21.848 -15.658 121 HB2 ARG 17 2HB ARG 17 -9.499 24.082 -15.752 122 HB3 ARG 17 3HB ARG 17 -8.944 23.565 -17.339 123 HG2 ARG 17 2HG ARG 17 -11.568 24.908 -16.722 124 HG3 ARG 17 3HG ARG 17 -10.165 25.649 -17.495 125 HD2 ARG 17 2HD ARG 17 -10.562 23.475 -19.077 126 HD3 ARG 17 3HD ARG 17 -12.216 23.864 -18.604 127 HE ARG 17 HE ARG 17 -12.117 25.708 -19.946 128 HH11 ARG 17 1HH1 ARG 17 -8.876 24.614 -19.299 129 HH12 ARG 17 2HH1 ARG 17 -8.139 25.733 -20.398 130 HH21 ARG 17 1HH2 ARG 17 -11.159 27.186 -21.395 131 HH22 ARG 17 2HH2 ARG 17 -9.439 27.196 -21.589 132 H ILE 18 H ILE 18 -11.564 23.215 -14.388 133 HA ILE 18 HA ILE 18 -14.233 22.352 -14.866 134 HB ILE 18 HB ILE 18 -13.289 24.432 -12.890 135 HG12 ILE 18 2HG1 ILE 18 -12.209 22.074 -12.841 136 HG13 ILE 18 3HG1 ILE 18 -12.853 22.736 -11.343 137 HG21 ILE 18 1HG2 ILE 18 -15.319 23.689 -11.635 138 HG22 ILE 18 2HG2 ILE 18 -15.660 24.526 -13.149 139 HG23 ILE 18 3HG2 ILE 18 -15.795 22.770 -13.063 140 HD11 ILE 18 3HD1 ILE 18 -14.652 21.294 -11.329 141 HD12 ILE 18 1HD1 ILE 18 -14.551 20.986 -13.062 142 HD13 ILE 18 2HD1 ILE 18 -13.355 20.286 -11.971 143 H VAL 19 H VAL 19 -15.464 23.200 -16.410 144 HA VAL 19 HA VAL 19 -15.095 25.697 -17.623 145 HB VAL 19 HB VAL 19 -17.713 24.205 -17.502 146 HG11 VAL 19 1HG1 VAL 19 -18.436 25.588 -19.099 147 HG12 VAL 19 2HG1 VAL 19 -17.069 26.617 -18.665 148 HG13 VAL 19 3HG1 VAL 19 -16.924 25.472 -19.999 149 HG21 VAL 19 3HG2 VAL 19 -15.168 23.520 -18.821 150 HG22 VAL 19 1HG2 VAL 19 -16.504 22.484 -18.321 151 HG23 VAL 19 2HG2 VAL 19 -16.611 23.396 -19.826 152 H ARG 20 H ARG 20 -17.632 24.695 -15.322 153 HA ARG 20 HA ARG 20 -17.560 27.243 -14.000 154 HB2 ARG 20 2HB ARG 20 -19.862 27.896 -14.481 155 HB3 ARG 20 3HB ARG 20 -18.919 27.812 -15.964 156 HG2 ARG 20 2HG ARG 20 -20.313 25.330 -15.282 157 HG3 ARG 20 3HG ARG 20 -21.373 26.704 -15.606 158 HD2 ARG 20 2HD ARG 20 -19.234 26.575 -17.535 159 HD3 ARG 20 3HD ARG 20 -20.116 25.050 -17.475 160 HE ARG 20 HE ARG 20 -21.741 27.445 -17.654 161 HH11 ARG 20 1HH1 ARG 20 -20.179 24.827 -19.336 162 HH12 ARG 20 2HH1 ARG 20 -21.182 24.961 -20.743 163 HH21 ARG 20 1HH2 ARG 20 -23.067 27.630 -19.500 164 HH22 ARG 20 2HH2 ARG 20 -22.823 26.556 -20.836 165 H LYS 21 H LYS 21 -19.891 27.257 -12.648 166 HA LYS 21 HA LYS 21 -20.513 24.623 -11.638 167 HB2 LYS 21 2HB LYS 21 -19.777 24.971 -9.388 168 HB3 LYS 21 3HB LYS 21 -18.407 25.280 -10.446 169 HG2 LYS 21 2HG LYS 21 -18.539 27.599 -10.124 170 HG3 LYS 21 3HG LYS 21 -20.161 27.494 -9.434 171 HD2 LYS 21 2HD LYS 21 -18.729 25.899 -7.745 172 HD3 LYS 21 3HD LYS 21 -17.541 27.135 -8.166 173 HE2 LYS 21 2HE LYS 21 -19.329 28.842 -7.613 174 HE3 LYS 21 3HE LYS 21 -20.254 27.511 -6.920 175 HZ1 LYS 21 3HZ LYS 21 -17.474 28.030 -6.073 176 HZ2 LYS 21 1HZ LYS 21 -18.694 27.192 -5.252 177 HZ3 LYS 21 2HZ LYS 21 -18.765 28.877 -5.380 178 H LYS 22 H LYS 22 -22.278 24.645 -10.097 179 HA LYS 22 HA LYS 22 -23.635 27.024 -9.377 180 HB2 LYS 22 2HB LYS 22 -25.507 27.002 -10.835 181 HB3 LYS 22 3HB LYS 22 -24.085 26.908 -11.866 182 HG2 LYS 22 2HG LYS 22 -25.047 25.169 -12.847 183 HG3 LYS 22 3HG LYS 22 -24.732 24.261 -11.366 184 HD2 LYS 22 2HD LYS 22 -26.939 23.992 -11.194 185 HD3 LYS 22 3HD LYS 22 -27.033 25.712 -10.807 186 HE2 LYS 22 2HE LYS 22 -27.115 26.104 -13.323 187 HE3 LYS 22 3HE LYS 22 -27.404 24.371 -13.473 188 HZ1 LYS 22 3HZ LYS 22 -29.099 26.347 -12.049 189 HZ2 LYS 22 1HZ LYS 22 -29.337 24.673 -11.974 190 HZ3 LYS 22 2HZ LYS 22 -29.493 25.484 -13.450 191 H ILE 23 H ILE 23 -25.303 26.639 -7.936 192 HA ILE 23 HA ILE 23 -25.654 23.819 -7.174 193 HB ILE 23 HB ILE 23 -25.939 24.447 -4.953 194 HG12 ILE 23 2HG1 ILE 23 -26.038 27.118 -4.564 195 HG13 ILE 23 3HG1 ILE 23 -26.842 27.015 -6.127 196 HG21 ILE 23 1HG2 ILE 23 -23.648 25.068 -6.149 197 HG22 ILE 23 2HG2 ILE 23 -24.092 26.678 -5.583 198 HG23 ILE 23 3HG2 ILE 23 -23.920 25.354 -4.430 199 HD11 ILE 23 3HD1 ILE 23 -27.895 25.007 -4.397 200 HD12 ILE 23 1HD1 ILE 23 -27.932 26.569 -3.579 201 HD13 ILE 23 2HD1 ILE 23 -28.714 26.376 -5.148 202 H VAL 24 H VAL 24 -27.719 23.052 -6.598 203 HA VAL 24 HA VAL 24 -29.995 24.765 -7.307 204 HB VAL 24 HB VAL 24 -30.233 21.936 -8.127 205 HG11 VAL 24 1HG1 VAL 24 -30.889 24.160 -9.944 206 HG12 VAL 24 2HG1 VAL 24 -31.837 22.741 -9.493 207 HG13 VAL 24 3HG1 VAL 24 -31.766 24.135 -8.415 208 HG21 VAL 24 3HG2 VAL 24 -28.476 23.883 -9.615 209 HG22 VAL 24 1HG2 VAL 24 -28.000 22.334 -8.921 210 HG23 VAL 24 2HG2 VAL 24 -29.103 22.382 -10.296 211 H HIS 25 H HIS 25 -31.471 24.754 -5.753 212 HA HIS 25 HA HIS 25 -32.633 24.192 -3.878 213 HB2 HIS 25 2HB HIS 25 -33.025 22.192 -5.671 214 HB3 HIS 25 3HB HIS 25 -32.365 21.282 -4.315 215 HD1 HIS 25 HD1 HIS 25 -33.668 22.386 -1.918 216 HD2 HIS 25 HD2 HIS 25 -35.707 22.019 -5.519 217 HE1 HIS 25 HE1 HIS 25 -36.108 22.352 -1.309 218 H GLY 26 H GLY 26 -29.650 24.256 -3.804 219 HA2 GLY 26 2HA GLY 26 -28.319 24.209 -1.855 220 HA3 GLY 26 3HA GLY 26 -29.384 22.983 -1.185 221 H ASN 27 H ASN 27 -28.521 22.366 -4.400 222 HA ASN 27 HA ASN 27 -26.482 20.439 -3.500 223 HB2 ASN 27 2HB ASN 27 -28.340 20.218 -5.880 224 HB3 ASN 27 3HB ASN 27 -27.160 19.012 -5.373 225 HD21 ASN 27 1HD2 ASN 27 -30.166 19.065 -5.618 226 HD22 ASN 27 2HD2 ASN 27 -30.725 18.458 -4.100 227 H THR 28 H THR 28 -24.552 21.307 -3.945 228 HA THR 28 HA THR 28 -24.049 23.117 -6.064 229 HB THR 28 HB THR 28 -21.866 21.481 -4.818 230 HG1 THR 28 HG1 THR 28 -22.912 23.774 -3.535 231 HG21 THR 28 3HG2 THR 28 -20.540 23.386 -5.152 232 HG22 THR 28 1HG2 THR 28 -21.942 24.442 -5.321 233 HG23 THR 28 2HG2 THR 28 -21.540 23.299 -6.602 234 H SER 29 H SER 29 -23.025 22.832 -8.031 235 HA SER 29 HA SER 29 -22.407 20.105 -8.888 236 HB2 SER 29 2HB SER 29 -24.296 21.947 -10.375 237 HB3 SER 29 3HB SER 29 -23.687 20.409 -10.987 238 HG SER 29 HG SER 29 -24.929 19.340 -9.598 239 H TYR 30 H TYR 30 -20.561 20.033 -9.988 240 HA TYR 30 HA TYR 30 -19.445 22.561 -10.988 241 HB2 TYR 30 2HB TYR 30 -18.218 20.039 -9.936 242 HB3 TYR 30 3HB TYR 30 -17.294 21.060 -11.032 243 HD1 TYR 30 HD2 TYR 30 -19.601 21.826 -8.191 244 HD2 TYR 30 HD1 TYR 30 -15.700 22.229 -9.841 245 HE1 TYR 30 HE2 TYR 30 -18.956 23.262 -6.301 246 HE2 TYR 30 HE1 TYR 30 -15.044 23.665 -7.955 247 HH TYR 30 HH TYR 30 -17.385 24.683 -5.520 248 H LEU 31 H LEU 31 -19.481 22.883 -13.102 249 HA LEU 31 HA LEU 31 -19.881 20.621 -14.902 250 HB2 LEU 31 2HB LEU 31 -21.290 22.691 -15.021 251 HB3 LEU 31 3HB LEU 31 -19.855 23.560 -15.562 252 HG LEU 31 HG LEU 31 -19.811 22.412 -17.619 253 HD11 LEU 31 1HD1 LEU 31 -21.809 20.631 -17.861 254 HD12 LEU 31 2HD1 LEU 31 -21.403 20.407 -16.160 255 HD13 LEU 31 3HD1 LEU 31 -20.164 20.197 -17.396 256 HD21 LEU 31 3HD2 LEU 31 -22.761 22.615 -17.342 257 HD22 LEU 31 1HD2 LEU 31 -21.694 23.244 -18.597 258 HD23 LEU 31 2HD2 LEU 31 -21.797 24.061 -17.038 259 H VAL 32 H VAL 32 -18.139 19.657 -15.695 260 HA VAL 32 HA VAL 32 -15.818 21.326 -16.418 261 HB VAL 32 HB VAL 32 -15.408 19.819 -14.456 262 HG11 VAL 32 1HG1 VAL 32 -15.134 17.422 -14.880 263 HG12 VAL 32 2HG1 VAL 32 -16.798 17.942 -15.150 264 HG13 VAL 32 3HG1 VAL 32 -15.731 17.646 -16.524 265 HG21 VAL 32 3HG2 VAL 32 -13.822 19.462 -16.989 266 HG22 VAL 32 1HG2 VAL 32 -13.514 20.576 -15.656 267 HG23 VAL 32 2HG2 VAL 32 -13.287 18.842 -15.427 268 H LYS 33 H LYS 33 -14.913 21.020 -18.397 269 HA LYS 33 HA LYS 33 -16.456 19.517 -20.323 270 HB2 LYS 33 2HB LYS 33 -14.832 20.488 -21.962 271 HB3 LYS 33 3HB LYS 33 -15.695 21.685 -21.006 272 HG2 LYS 33 2HG LYS 33 -13.755 21.966 -19.570 273 HG3 LYS 33 3HG LYS 33 -12.888 20.728 -20.482 274 HD2 LYS 33 2HD LYS 33 -12.083 22.532 -21.588 275 HD3 LYS 33 3HD LYS 33 -13.587 22.360 -22.495 276 HE2 LYS 33 2HE LYS 33 -13.630 23.988 -20.009 277 HE3 LYS 33 3HE LYS 33 -12.841 24.671 -21.430 278 HZ1 LYS 33 3HZ LYS 33 -14.828 24.543 -22.658 279 HZ2 LYS 33 1HZ LYS 33 -15.271 25.188 -21.157 280 HZ3 LYS 33 2HZ LYS 33 -15.587 23.564 -21.507 281 H TRP 34 H TRP 34 -14.713 18.605 -22.147 282 HA TRP 34 HA TRP 34 -13.074 16.640 -20.685 283 HB2 TRP 34 2HB TRP 34 -14.707 16.187 -23.192 284 HB3 TRP 34 3HB TRP 34 -13.633 15.002 -22.454 285 HD1 TRP 34 HD1 TRP 34 -14.694 15.854 -19.401 286 HE1 TRP 34 HE1 TRP 34 -16.935 14.838 -18.645 287 HE3 TRP 34 HE3 TRP 34 -16.604 14.609 -23.977 288 HZ2 TRP 34 HZ2 TRP 34 -19.211 13.663 -19.833 289 HZ3 TRP 34 HZ3 TRP 34 -18.819 13.542 -24.080 290 HH2 TRP 34 HH2 TRP 34 -20.093 13.079 -22.049 291 H LYS 35 H LYS 35 -11.230 17.968 -20.978 292 HA LYS 35 HA LYS 35 -9.353 18.715 -22.028 293 HB2 LYS 35 2HB LYS 35 -9.816 16.116 -22.881 294 HB3 LYS 35 3HB LYS 35 -9.536 16.996 -24.377 295 HG2 LYS 35 2HG LYS 35 -7.520 17.928 -22.794 296 HG3 LYS 35 3HG LYS 35 -7.674 16.255 -22.252 297 HD2 LYS 35 2HD LYS 35 -7.658 15.655 -24.749 298 HD3 LYS 35 3HD LYS 35 -7.054 17.294 -25.001 299 HE2 LYS 35 2HE LYS 35 -5.039 16.331 -24.731 300 HE3 LYS 35 3HE LYS 35 -5.420 16.455 -23.014 301 HZ1 LYS 35 3HZ LYS 35 -5.027 14.265 -23.028 302 HZ2 LYS 35 1HZ LYS 35 -5.243 14.115 -24.700 303 HZ3 LYS 35 2HZ LYS 35 -6.585 14.131 -23.672 304 H ASN 36 H ASN 36 -11.822 20.038 -22.671 305 HA ASN 36 HA ASN 36 -12.562 21.693 -24.046 306 HB2 ASN 36 2HB ASN 36 -9.734 21.550 -24.523 307 HB3 ASN 36 3HB ASN 36 -10.561 21.906 -26.037 308 HD21 ASN 36 1HD2 ASN 36 -10.478 22.883 -22.635 309 HD22 ASN 36 2HD2 ASN 36 -10.766 24.561 -22.931 310 H TYR 37 H TYR 37 -12.576 18.661 -24.749 311 HA TYR 37 HA TYR 37 -12.824 18.575 -27.592 312 HB2 TYR 37 2HB TYR 37 -12.225 16.569 -26.360 313 HB3 TYR 37 3HB TYR 37 -13.735 16.634 -25.458 314 HD1 TYR 37 HD2 TYR 37 -15.891 16.203 -26.645 315 HD2 TYR 37 HD1 TYR 37 -12.122 15.582 -28.517 316 HE1 TYR 37 HE2 TYR 37 -16.977 14.807 -28.354 317 HE2 TYR 37 HE1 TYR 37 -13.197 14.184 -30.232 318 HH TYR 37 HH TYR 37 -16.558 13.244 -29.993 319 H SER 38 H SER 38 -15.160 18.580 -24.913 320 HA SER 38 HA SER 38 -17.382 18.814 -26.766 321 HB2 SER 38 2HB SER 38 -18.609 19.061 -24.426 322 HB3 SER 38 3HB SER 38 -18.060 17.489 -25.006 323 HG SER 38 HG SER 38 -17.275 18.876 -22.826 324 H SER 39 H SER 39 -16.186 20.703 -23.985 325 HA SER 39 HA SER 39 -16.054 22.964 -23.664 326 HB2 SER 39 2HB SER 39 -15.904 22.765 -26.413 327 HB3 SER 39 3HB SER 39 -17.281 23.841 -26.175 328 HG SER 39 HG SER 39 -15.727 25.270 -25.999 329 H LYS 40 H LYS 40 -18.946 22.046 -25.523 330 HA LYS 40 HA LYS 40 -20.564 23.643 -23.651 331 HB2 LYS 40 2HB LYS 40 -20.943 24.462 -25.831 332 HB3 LYS 40 3HB LYS 40 -20.995 22.845 -26.521 333 HG2 LYS 40 2HG LYS 40 -23.048 23.615 -24.508 334 HG3 LYS 40 3HG LYS 40 -23.185 24.230 -26.157 335 HD2 LYS 40 2HD LYS 40 -22.574 21.400 -26.117 336 HD3 LYS 40 3HD LYS 40 -24.051 21.759 -25.220 337 HE2 LYS 40 2HE LYS 40 -24.778 21.397 -27.413 338 HE3 LYS 40 3HE LYS 40 -24.728 23.152 -27.255 339 HZ1 LYS 40 3HZ LYS 40 -23.158 21.409 -28.938 340 HZ2 LYS 40 1HZ LYS 40 -22.257 22.603 -28.147 341 HZ3 LYS 40 2HZ LYS 40 -23.555 23.041 -29.141 342 H ASP 41 H ASP 41 -19.893 20.475 -24.788 343 HA ASP 41 HA ASP 41 -22.360 19.365 -23.705 344 HB2 ASP 41 2HB ASP 41 -20.942 18.622 -25.858 345 HB3 ASP 41 3HB ASP 41 -20.179 17.586 -24.656 346 H ASN 42 H ASN 42 -19.955 20.582 -22.175 347 HA ASN 42 HA ASN 42 -18.554 18.753 -20.713 348 HB2 ASN 42 2HB ASN 42 -19.807 21.050 -19.257 349 HB3 ASN 42 3HB ASN 42 -18.161 20.430 -19.158 350 HD21 ASN 42 1HD2 ASN 42 -19.456 23.123 -19.758 351 HD22 ASN 42 2HD2 ASN 42 -18.624 23.668 -21.171 352 H THR 43 H THR 43 -18.863 17.886 -18.549 353 HA THR 43 HA THR 43 -21.642 17.017 -18.145 354 HB THR 43 HB THR 43 -20.042 15.462 -16.484 355 HG1 THR 43 HG1 THR 43 -18.753 15.962 -18.975 356 HG21 THR 43 3HG2 THR 43 -21.927 14.624 -17.736 357 HG22 THR 43 1HG2 THR 43 -20.500 13.678 -18.156 358 HG23 THR 43 2HG2 THR 43 -21.093 14.917 -19.262 359 H TRP 44 H TRP 44 -22.601 17.091 -16.114 360 HA TRP 44 HA TRP 44 -21.404 19.041 -14.288 361 HB2 TRP 44 2HB TRP 44 -24.195 17.956 -14.036 362 HB3 TRP 44 3HB TRP 44 -23.561 19.512 -13.508 363 HD1 TRP 44 HD1 TRP 44 -23.534 21.485 -15.262 364 HE1 TRP 44 HE1 TRP 44 -24.587 21.776 -17.593 365 HE3 TRP 44 HE3 TRP 44 -24.787 16.618 -16.199 366 HZ2 TRP 44 HZ2 TRP 44 -25.789 20.156 -19.567 367 HZ3 TRP 44 HZ3 TRP 44 -25.886 16.073 -18.332 368 HH2 TRP 44 HH2 TRP 44 -26.377 17.807 -19.980 369 H GLU 45 H GLU 45 -20.313 18.300 -12.600 370 HA GLU 45 HA GLU 45 -21.195 15.777 -11.357 371 HB2 GLU 45 2HB GLU 45 -18.413 16.833 -11.824 372 HB3 GLU 45 3HB GLU 45 -18.747 15.586 -10.631 373 HG2 GLU 45 2HG GLU 45 -19.935 14.941 -13.179 374 HG3 GLU 45 3HG GLU 45 -18.201 15.224 -13.326 375 H THR 46 H THR 46 -21.816 15.933 -9.311 376 HA THR 46 HA THR 46 -22.185 18.203 -7.878 377 HB THR 46 HB THR 46 -21.645 16.493 -5.825 378 HG1 THR 46 HG1 THR 46 -22.641 14.752 -7.798 379 HG21 THR 46 3HG2 THR 46 -24.032 15.878 -5.943 380 HG22 THR 46 1HG2 THR 46 -24.105 16.535 -7.578 381 HG23 THR 46 2HG2 THR 46 -23.774 17.602 -6.213 382 H GLU 47 H GLU 47 -21.109 19.278 -6.171 383 HA GLU 47 HA GLU 47 -18.397 19.801 -6.598 384 HB2 GLU 47 2HB GLU 47 -19.610 21.499 -5.528 385 HB3 GLU 47 3HB GLU 47 -20.273 20.397 -4.330 386 HG2 GLU 47 2HG GLU 47 -18.106 20.206 -3.264 387 HG3 GLU 47 3HG GLU 47 -17.390 21.245 -4.495 388 H ASP 48 H ASP 48 -19.950 17.329 -4.778 389 HA ASP 48 HA ASP 48 -17.500 16.686 -3.314 390 HB2 ASP 48 2HB ASP 48 -19.708 16.698 -2.132 391 HB3 ASP 48 3HB ASP 48 -20.203 15.341 -3.140 392 H ASP 49 H ASP 49 -18.724 16.074 -6.277 393 HA ASP 49 HA ASP 49 -17.493 13.397 -6.387 394 HB2 ASP 49 2HB ASP 49 -19.824 14.471 -7.987 395 HB3 ASP 49 3HB ASP 49 -19.016 12.941 -8.317 396 H ILE 50 H ILE 50 -17.209 16.575 -7.305 397 HA ILE 50 HA ILE 50 -15.880 15.981 -9.844 398 HB ILE 50 HB ILE 50 -17.463 17.865 -9.807 399 HG12 ILE 50 2HG1 ILE 50 -15.281 19.574 -10.289 400 HG13 ILE 50 3HG1 ILE 50 -14.707 17.953 -10.667 401 HG21 ILE 50 1HG2 ILE 50 -17.454 19.500 -8.277 402 HG22 ILE 50 2HG2 ILE 50 -16.441 18.408 -7.335 403 HG23 ILE 50 3HG2 ILE 50 -15.699 19.665 -8.324 404 HD11 ILE 50 3HD1 ILE 50 -17.264 19.079 -11.766 405 HD12 ILE 50 1HD1 ILE 50 -15.705 19.247 -12.572 406 HD13 ILE 50 2HD1 ILE 50 -16.387 17.644 -12.296 407 H ARG 51 H ARG 51 -15.238 17.148 -6.599 408 HA ARG 51 HA ARG 51 -12.505 17.848 -7.143 409 HB2 ARG 51 2HB ARG 51 -12.430 18.643 -4.999 410 HB3 ARG 51 3HB ARG 51 -14.171 18.671 -5.249 411 HG2 ARG 51 2HG ARG 51 -12.704 16.392 -3.944 412 HG3 ARG 51 3HG ARG 51 -13.442 17.729 -3.061 413 HD2 ARG 51 2HD ARG 51 -15.615 17.129 -3.794 414 HD3 ARG 51 3HD ARG 51 -14.975 16.000 -4.988 415 HE ARG 51 HE ARG 51 -14.901 14.414 -3.355 416 HH11 ARG 51 1HH1 ARG 51 -14.951 17.551 -1.847 417 HH12 ARG 51 2HH1 ARG 51 -15.059 16.920 -0.237 418 HH21 ARG 51 1HH2 ARG 51 -15.042 13.570 -1.240 419 HH22 ARG 51 2HH2 ARG 51 -15.110 14.655 0.107 420 H THR 52 H THR 52 -14.191 14.969 -6.433 421 HA THR 52 HA THR 52 -11.879 13.601 -5.324 422 HB THR 52 HB THR 52 -14.085 13.046 -4.425 423 HG1 THR 52 HG1 THR 52 -13.455 11.030 -4.218 424 HG21 THR 52 3HG2 THR 52 -15.009 13.288 -6.968 425 HG22 THR 52 1HG2 THR 52 -15.889 12.493 -5.663 426 HG23 THR 52 2HG2 THR 52 -14.941 11.534 -6.799 427 H LYS 53 H LYS 53 -13.547 13.944 -8.358 428 HA LYS 53 HA LYS 53 -11.895 11.837 -9.561 429 HB2 LYS 53 2HB LYS 53 -14.242 13.320 -10.759 430 HB3 LYS 53 3HB LYS 53 -13.418 11.932 -11.456 431 HG2 LYS 53 2HG LYS 53 -14.314 10.458 -9.899 432 HG3 LYS 53 3HG LYS 53 -14.718 11.751 -8.767 433 HD2 LYS 53 2HD LYS 53 -16.289 12.571 -10.667 434 HD3 LYS 53 3HD LYS 53 -16.120 10.924 -11.280 435 HE2 LYS 53 2HE LYS 53 -16.999 11.618 -8.481 436 HE3 LYS 53 3HE LYS 53 -18.104 11.273 -9.810 437 HZ1 LYS 53 3HZ LYS 53 -16.344 9.455 -8.336 438 HZ2 LYS 53 1HZ LYS 53 -16.648 9.118 -9.966 439 HZ3 LYS 53 2HZ LYS 53 -17.932 9.222 -8.870 440 H TYR 54 H TYR 54 -12.576 15.270 -9.661 441 HA TYR 54 HA TYR 54 -10.263 15.611 -11.449 442 HB2 TYR 54 2HB TYR 54 -12.638 17.459 -11.520 443 HB3 TYR 54 3HB TYR 54 -11.345 17.291 -12.702 444 HD1 TYR 54 HD1 TYR 54 -11.177 14.754 -13.655 445 HD2 TYR 54 HD2 TYR 54 -14.687 16.623 -12.144 446 HE1 TYR 54 HE1 TYR 54 -12.561 13.191 -14.954 447 HE2 TYR 54 HE2 TYR 54 -16.081 15.064 -13.438 448 HH TYR 54 HH TYR 54 -14.884 13.148 -15.913 449 H GLY 55 H GLY 55 -10.374 15.683 -8.561 450 HA2 GLY 55 2HA GLY 55 -10.569 18.188 -7.412 451 HA3 GLY 55 3HA GLY 55 -9.452 16.943 -6.876 452 H ASP 56 H ASP 56 -8.209 17.058 -9.657 453 HA ASP 56 HA ASP 56 -6.052 18.729 -9.018 454 HB2 ASP 56 2HB ASP 56 -6.755 16.931 -11.120 455 HB3 ASP 56 3HB ASP 56 -6.178 18.428 -11.847 456 H LEU 57 H LEU 57 -8.647 19.215 -11.413 457 HA LEU 57 HA LEU 57 -7.852 21.963 -11.829 458 HB2 LEU 57 2HB LEU 57 -10.143 21.845 -13.152 459 HB3 LEU 57 3HB LEU 57 -8.643 21.187 -13.803 460 HG LEU 57 HG LEU 57 -10.371 19.346 -12.245 461 HD11 LEU 57 1HD1 LEU 57 -12.191 19.703 -13.463 462 HD12 LEU 57 2HD1 LEU 57 -11.288 19.124 -14.862 463 HD13 LEU 57 3HD1 LEU 57 -11.347 20.849 -14.504 464 HD21 LEU 57 3HD2 LEU 57 -9.557 17.744 -13.845 465 HD22 LEU 57 1HD2 LEU 57 -8.196 18.687 -13.236 466 HD23 LEU 57 2HD2 LEU 57 -8.859 19.027 -14.835 467 H VAL 58 H VAL 58 -10.312 20.200 -10.075 468 HA VAL 58 HA VAL 58 -12.151 22.203 -9.545 469 HB VAL 58 HB VAL 58 -11.252 19.981 -7.706 470 HG11 VAL 58 1HG1 VAL 58 -12.424 21.230 -6.217 471 HG12 VAL 58 2HG1 VAL 58 -13.357 22.051 -7.471 472 HG13 VAL 58 3HG1 VAL 58 -13.784 20.410 -6.984 473 HG21 VAL 58 3HG2 VAL 58 -13.822 19.584 -8.878 474 HG22 VAL 58 1HG2 VAL 58 -12.656 19.931 -10.155 475 HG23 VAL 58 2HG2 VAL 58 -12.369 18.598 -9.037 476 H ASP 59 H ASP 59 -9.113 21.463 -7.888 477 HA ASP 59 HA ASP 59 -9.476 23.565 -5.949 478 HB2 ASP 59 2HB ASP 59 -7.238 21.652 -6.575 479 HB3 ASP 59 3HB ASP 59 -7.020 22.973 -5.430 480 H ASP 60 H ASP 60 -8.929 23.742 -9.107 481 HA ASP 60 HA ASP 60 -7.011 25.967 -8.887 482 HB2 ASP 60 2HB ASP 60 -6.845 23.761 -10.516 483 HB3 ASP 60 3HB ASP 60 -7.569 24.959 -11.585 484 H PHE 61 H PHE 61 -10.224 25.084 -9.635 485 HA PHE 61 HA PHE 61 -10.733 27.596 -11.052 486 HB2 PHE 61 2HB PHE 61 -11.688 25.675 -12.133 487 HB3 PHE 61 3HB PHE 61 -12.430 25.132 -10.632 488 HD1 PHE 61 HD2 PHE 61 -12.570 27.651 -13.309 489 HD2 PHE 61 HD1 PHE 61 -14.506 26.015 -9.890 490 HE1 PHE 61 HE2 PHE 61 -14.620 28.886 -13.883 491 HE2 PHE 61 HE1 PHE 61 -16.559 27.246 -10.459 492 HZ PHE 61 HZ PHE 61 -16.618 28.685 -12.457 493 H GLU 62 H GLU 62 -12.303 25.701 -8.466 494 HA GLU 62 HA GLU 62 -13.854 27.833 -7.488 495 HB2 GLU 62 2HB GLU 62 -14.443 26.417 -5.702 496 HB3 GLU 62 3HB GLU 62 -14.154 25.336 -7.057 497 HG2 GLU 62 2HG GLU 62 -11.741 25.214 -6.059 498 HG3 GLU 62 3HG GLU 62 -12.548 25.749 -4.586 499 H LYS 63 H LYS 63 -10.631 26.686 -6.664 500 HA LYS 63 HA LYS 63 -10.278 28.286 -4.356 501 HB2 LYS 63 2HB LYS 63 -8.272 27.052 -6.250 502 HB3 LYS 63 3HB LYS 63 -7.837 27.847 -4.743 503 HG2 LYS 63 2HG LYS 63 -9.581 25.406 -5.010 504 HG3 LYS 63 3HG LYS 63 -7.895 25.430 -4.486 505 HD2 LYS 63 2HD LYS 63 -9.136 27.275 -2.834 506 HD3 LYS 63 3HD LYS 63 -10.321 25.976 -2.983 507 HE2 LYS 63 2HE LYS 63 -9.106 25.161 -1.237 508 HE3 LYS 63 3HE LYS 63 -8.174 24.478 -2.569 509 HZ1 LYS 63 3HZ LYS 63 -7.202 26.054 -0.564 510 HZ2 LYS 63 1HZ LYS 63 -7.306 27.112 -1.881 511 HZ3 LYS 63 2HZ LYS 63 -6.409 25.684 -2.012 512 H ASN 64 H ASN 64 -10.478 29.102 -7.614 513 HA ASN 64 HA ASN 64 -8.870 31.533 -7.275 514 HB2 ASN 64 2HB ASN 64 -9.934 30.095 -9.698 515 HB3 ASN 64 3HB ASN 64 -9.350 31.753 -9.797 516 HD21 ASN 64 1HD2 ASN 64 -8.182 28.966 -7.953 517 HD22 ASN 64 2HD2 ASN 64 -6.593 28.965 -8.630 518 H GLN 65 H GLN 65 -12.127 30.385 -7.803 519 HA GLN 65 HA GLN 65 -13.178 33.049 -8.240 520 HB2 GLN 65 2HB GLN 65 -15.273 32.017 -8.607 521 HB3 GLN 65 3HB GLN 65 -14.084 30.942 -9.330 522 HG2 GLN 65 2HG GLN 65 -15.266 29.379 -8.230 523 HG3 GLN 65 3HG GLN 65 -14.217 29.853 -6.895 524 HE21 GLN 65 1HE2 GLN 65 -17.416 29.926 -8.192 525 HE22 GLN 65 2HE2 GLN 65 -18.198 30.572 -6.794 526 H LYS 66 H LYS 66 -12.887 30.733 -5.641 527 HA LYS 66 HA LYS 66 -14.755 31.812 -3.852 528 HB2 LYS 66 2HB LYS 66 -12.248 30.197 -3.503 529 HB3 LYS 66 3HB LYS 66 -13.128 30.790 -2.100 530 HG2 LYS 66 2HG LYS 66 -14.219 28.991 -4.255 531 HG3 LYS 66 3HG LYS 66 -13.771 28.515 -2.615 532 HD2 LYS 66 2HD LYS 66 -15.477 30.197 -1.801 533 HD3 LYS 66 3HD LYS 66 -16.026 30.316 -3.474 534 HE2 LYS 66 2HE LYS 66 -16.809 28.132 -3.504 535 HE3 LYS 66 3HE LYS 66 -15.792 27.643 -2.149 536 HZ1 LYS 66 3HZ LYS 66 -18.246 27.921 -1.688 537 HZ2 LYS 66 1HZ LYS 66 -17.999 29.589 -1.835 538 HZ3 LYS 66 2HZ LYS 66 -17.193 28.717 -0.630 539 H LYS 67 H LYS 67 -11.776 33.042 -4.957 540 HA LYS 67 HA LYS 67 -10.528 34.866 -4.418 541 HB2 LYS 67 2HB LYS 67 -13.016 35.745 -4.529 542 HB3 LYS 67 3HB LYS 67 -12.782 35.981 -2.802 543 HG2 LYS 67 2HG LYS 67 -10.631 37.233 -3.506 544 HG3 LYS 67 3HG LYS 67 -11.400 37.311 -5.093 545 HD2 LYS 67 2HD LYS 67 -13.374 38.051 -3.241 546 HD3 LYS 67 3HD LYS 67 -11.903 38.889 -2.741 547 HE2 LYS 67 2HE LYS 67 -11.669 39.560 -5.196 548 HE3 LYS 67 3HE LYS 67 -13.340 39.030 -5.376 549 HZ1 LYS 67 3HZ LYS 67 -12.498 41.501 -4.554 550 HZ2 LYS 67 1HZ LYS 67 -13.011 40.751 -3.127 551 HZ3 LYS 67 2HZ LYS 67 -14.071 40.889 -4.438 Start of MODEL 9 1 H1 MET 1 H MET 1 10.655 12.814 -21.712 2 HA MET 1 HA MET 1 9.406 11.048 -22.493 3 HB2 MET 1 2HB MET 1 11.649 10.740 -24.495 4 HB3 MET 1 3HB MET 1 10.196 9.750 -24.472 5 HG2 MET 1 2HG MET 1 9.183 11.242 -25.740 6 HG3 MET 1 3HG MET 1 9.347 12.430 -24.449 7 HE1 MET 1 3HE MET 1 10.993 15.089 -26.183 8 HE2 MET 1 1HE MET 1 9.805 14.452 -25.045 9 HE3 MET 1 2HE MET 1 11.514 14.479 -24.612 10 H HIS 2 H HIS 2 9.769 10.105 -20.457 11 HA HIS 2 HA HIS 2 11.494 7.747 -20.562 12 HB2 HIS 2 2HB HIS 2 12.180 10.044 -19.092 13 HB3 HIS 2 3HB HIS 2 11.585 8.883 -17.909 14 HD1 HIS 2 HD1 HIS 2 13.667 8.004 -16.873 15 HD2 HIS 2 HD2 HIS 2 13.895 8.082 -21.020 16 HE1 HIS 2 HE1 HIS 2 15.836 6.868 -17.448 17 H HIS 3 H HIS 3 9.383 9.464 -18.249 18 HA HIS 3 HA HIS 3 7.635 8.758 -16.975 19 HB2 HIS 3 2HB HIS 3 7.223 6.723 -19.174 20 HB3 HIS 3 3HB HIS 3 6.019 7.278 -18.015 21 HD1 HIS 3 HD1 HIS 3 7.026 10.365 -18.440 22 HD2 HIS 3 HD2 HIS 3 5.640 7.688 -21.298 23 HE1 HIS 3 HE1 HIS 3 6.184 11.784 -20.338 24 H HIS 4 H HIS 4 9.834 7.894 -15.878 25 HA HIS 4 HA HIS 4 9.571 5.003 -15.439 26 HB2 HIS 4 2HB HIS 4 11.809 6.111 -16.074 27 HB3 HIS 4 3HB HIS 4 11.826 6.718 -14.421 28 HD1 HIS 4 HD1 HIS 4 11.121 3.278 -15.911 29 HD2 HIS 4 HD2 HIS 4 13.403 5.100 -12.956 30 HE1 HIS 4 HE1 HIS 4 12.370 1.411 -14.779 31 H HIS 5 H HIS 5 7.530 6.127 -14.273 32 HA HIS 5 HA HIS 5 7.920 5.632 -11.505 33 HB2 HIS 5 2HB HIS 5 8.701 8.127 -12.060 34 HB3 HIS 5 3HB HIS 5 6.973 8.426 -11.899 35 HD1 HIS 5 HD1 HIS 5 6.176 8.839 -9.591 36 HD2 HIS 5 HD2 HIS 5 9.795 6.800 -9.640 37 HE1 HIS 5 HE1 HIS 5 6.874 8.651 -7.183 38 H HIS 6 H HIS 6 6.026 5.100 -10.534 39 HA HIS 6 HA HIS 6 3.743 4.673 -12.131 40 HB2 HIS 6 2HB HIS 6 2.640 4.028 -10.004 41 HB3 HIS 6 3HB HIS 6 4.207 3.254 -10.219 42 HD1 HIS 6 HD1 HIS 6 6.142 4.047 -8.660 43 HD2 HIS 6 HD2 HIS 6 2.442 5.743 -7.826 44 HE1 HIS 6 HE1 HIS 6 6.381 5.099 -6.388 45 H HIS 7 H HIS 7 1.750 5.689 -12.193 46 HA HIS 7 HA HIS 7 1.643 8.365 -10.963 47 HB2 HIS 7 2HB HIS 7 1.106 7.474 -13.742 48 HB3 HIS 7 3HB HIS 7 0.006 8.677 -13.075 49 HD1 HIS 7 HD1 HIS 7 2.594 8.765 -15.247 50 HD2 HIS 7 HD2 HIS 7 2.072 10.648 -11.581 51 HE1 HIS 7 HE1 HIS 7 4.136 10.751 -15.286 52 H GLU 8 H GLU 8 -0.252 8.997 -10.010 53 HA GLU 8 HA GLU 8 -2.389 6.971 -9.900 54 HB2 GLU 8 2HB GLU 8 -1.201 8.705 -7.761 55 HB3 GLU 8 3HB GLU 8 -2.859 8.137 -7.615 56 HG2 GLU 8 2HG GLU 8 -1.122 5.962 -8.315 57 HG3 GLU 8 3HG GLU 8 -0.520 6.797 -6.884 58 H VAL 9 H VAL 9 -4.255 7.598 -10.739 59 HA VAL 9 HA VAL 9 -4.974 10.450 -10.636 60 HB VAL 9 HB VAL 9 -5.480 8.651 -13.008 61 HG11 VAL 9 1HG1 VAL 9 -5.955 10.970 -14.042 62 HG12 VAL 9 2HG1 VAL 9 -7.185 10.230 -13.015 63 HG13 VAL 9 3HG1 VAL 9 -6.144 11.500 -12.371 64 HG21 VAL 9 3HG2 VAL 9 -3.185 9.042 -13.106 65 HG22 VAL 9 1HG2 VAL 9 -3.861 10.329 -14.104 66 HG23 VAL 9 2HG2 VAL 9 -3.337 10.674 -12.456 67 HA PRO 10 HA PRO 10 -8.338 7.672 -8.963 68 HB2 PRO 10 2HB PRO 10 -8.646 9.024 -6.629 69 HB3 PRO 10 3HB PRO 10 -7.478 7.713 -6.833 70 HG2 PRO 10 2HG PRO 10 -7.040 10.673 -6.926 71 HG3 PRO 10 3HG PRO 10 -6.057 9.421 -6.145 72 HD2 PRO 10 2HD PRO 10 -5.404 10.503 -8.540 73 HD3 PRO 10 3HD PRO 10 -5.030 8.820 -8.120 74 H GLN 11 H GLN 11 -8.762 9.505 -10.953 75 HA GLN 11 HA GLN 11 -11.196 10.811 -10.013 76 HB2 GLN 11 2HB GLN 11 -8.992 12.235 -11.510 77 HB3 GLN 11 3HB GLN 11 -10.619 12.874 -11.314 78 HG2 GLN 11 2HG GLN 11 -9.878 13.853 -9.470 79 HG3 GLN 11 3HG GLN 11 -9.860 12.249 -8.739 80 HE21 GLN 11 1HE2 GLN 11 -7.728 11.142 -10.148 81 HE22 GLN 11 2HE2 GLN 11 -6.274 11.942 -9.670 82 H THR 12 H THR 12 -10.909 8.459 -11.503 83 HA THR 12 HA THR 12 -11.983 7.479 -13.272 84 HB THR 12 HB THR 12 -12.579 10.152 -14.502 85 HG1 THR 12 HG1 THR 12 -13.614 9.062 -12.128 86 HG21 THR 12 3HG2 THR 12 -13.229 8.254 -15.810 87 HG22 THR 12 1HG2 THR 12 -14.691 8.940 -15.104 88 HG23 THR 12 2HG2 THR 12 -13.980 7.481 -14.415 89 H PHE 13 H PHE 13 -10.420 10.475 -14.426 90 HA PHE 13 HA PHE 13 -8.310 9.098 -15.723 91 HB2 PHE 13 2HB PHE 13 -9.093 9.949 -18.074 92 HB3 PHE 13 3HB PHE 13 -9.691 8.414 -17.453 93 HD1 PHE 13 HD1 PHE 13 -10.706 11.916 -16.697 94 HD2 PHE 13 HD2 PHE 13 -11.820 8.128 -18.288 95 HE1 PHE 13 HE1 PHE 13 -13.018 12.713 -16.967 96 HE2 PHE 13 HE2 PHE 13 -14.134 8.920 -18.561 97 HZ PHE 13 HZ PHE 13 -14.735 11.215 -17.901 98 H GLU 14 H GLU 14 -8.870 11.407 -13.988 99 HA GLU 14 HA GLU 14 -7.998 13.475 -13.609 100 HB2 GLU 14 2HB GLU 14 -6.251 12.278 -15.530 101 HB3 GLU 14 3HB GLU 14 -6.436 13.981 -15.925 102 HG2 GLU 14 2HG GLU 14 -5.333 14.672 -14.087 103 HG3 GLU 14 3HG GLU 14 -5.953 13.360 -13.087 104 H VAL 15 H VAL 15 -9.316 15.153 -13.763 105 HA VAL 15 HA VAL 15 -10.713 15.710 -16.248 106 HB VAL 15 HB VAL 15 -10.957 17.265 -13.679 107 HG11 VAL 15 1HG1 VAL 15 -12.223 18.473 -15.097 108 HG12 VAL 15 2HG1 VAL 15 -12.392 17.145 -16.247 109 HG13 VAL 15 3HG1 VAL 15 -13.411 17.203 -14.808 110 HG21 VAL 15 3HG2 VAL 15 -11.482 15.208 -12.827 111 HG22 VAL 15 1HG2 VAL 15 -13.052 15.666 -13.487 112 HG23 VAL 15 2HG2 VAL 15 -12.003 14.571 -14.387 113 H GLU 16 H GLU 16 -10.715 17.753 -17.280 114 HA GLU 16 HA GLU 16 -8.142 18.974 -17.423 115 HB2 GLU 16 2HB GLU 16 -10.470 18.881 -19.025 116 HB3 GLU 16 3HB GLU 16 -10.164 20.578 -18.680 117 HG2 GLU 16 2HG GLU 16 -7.883 18.892 -19.555 118 HG3 GLU 16 3HG GLU 16 -9.088 19.361 -20.753 119 H ARG 17 H ARG 17 -11.297 20.526 -16.826 120 HA ARG 17 HA ARG 17 -10.516 21.792 -14.429 121 HB2 ARG 17 2HB ARG 17 -9.880 23.912 -15.046 122 HB3 ARG 17 3HB ARG 17 -9.183 22.983 -16.367 123 HG2 ARG 17 2HG ARG 17 -11.791 24.486 -16.428 124 HG3 ARG 17 3HG ARG 17 -10.282 24.964 -17.208 125 HD2 ARG 17 2HD ARG 17 -10.620 22.452 -18.189 126 HD3 ARG 17 3HD ARG 17 -12.292 22.985 -18.024 127 HE ARG 17 HE ARG 17 -10.439 23.831 -19.989 128 HH11 ARG 17 1HH1 ARG 17 -13.025 24.997 -17.972 129 HH12 ARG 17 2HH1 ARG 17 -13.480 26.264 -19.063 130 HH21 ARG 17 1HH2 ARG 17 -11.027 25.495 -21.433 131 HH22 ARG 17 2HH2 ARG 17 -12.343 26.546 -21.032 132 H ILE 18 H ILE 18 -12.115 23.473 -13.749 133 HA ILE 18 HA ILE 18 -14.754 22.554 -14.289 134 HB ILE 18 HB ILE 18 -13.929 25.063 -12.825 135 HG12 ILE 18 2HG1 ILE 18 -12.983 22.780 -12.039 136 HG13 ILE 18 3HG1 ILE 18 -13.753 23.826 -10.850 137 HG21 ILE 18 1HG2 ILE 18 -16.484 23.470 -12.863 138 HG22 ILE 18 2HG2 ILE 18 -16.119 24.713 -11.668 139 HG23 ILE 18 3HG2 ILE 18 -16.249 25.142 -13.373 140 HD11 ILE 18 3HD1 ILE 18 -14.320 21.343 -10.808 141 HD12 ILE 18 1HD1 ILE 18 -15.658 22.490 -10.742 142 HD13 ILE 18 2HD1 ILE 18 -15.277 21.666 -12.254 143 H VAL 19 H VAL 19 -15.782 22.987 -16.125 144 HA VAL 19 HA VAL 19 -15.169 25.059 -17.905 145 HB VAL 19 HB VAL 19 -17.861 23.715 -17.680 146 HG11 VAL 19 1HG1 VAL 19 -16.592 24.413 -20.266 147 HG12 VAL 19 2HG1 VAL 19 -18.291 24.444 -19.790 148 HG13 VAL 19 3HG1 VAL 19 -17.207 25.740 -19.282 149 HG21 VAL 19 3HG2 VAL 19 -15.248 22.607 -18.373 150 HG22 VAL 19 1HG2 VAL 19 -16.753 21.789 -17.955 151 HG23 VAL 19 2HG2 VAL 19 -16.479 22.342 -19.607 152 H ARG 20 H ARG 20 -17.966 24.771 -15.707 153 HA ARG 20 HA ARG 20 -17.892 27.566 -15.085 154 HB2 ARG 20 2HB ARG 20 -20.127 28.106 -15.978 155 HB3 ARG 20 3HB ARG 20 -18.976 27.726 -17.252 156 HG2 ARG 20 2HG ARG 20 -20.492 25.415 -16.312 157 HG3 ARG 20 3HG ARG 20 -21.487 26.688 -17.021 158 HD2 ARG 20 2HD ARG 20 -19.409 26.545 -18.785 159 HD3 ARG 20 3HD ARG 20 -19.572 24.863 -18.281 160 HE ARG 20 HE ARG 20 -22.108 25.521 -18.840 161 HH11 ARG 20 1HH1 ARG 20 -19.146 25.989 -20.609 162 HH12 ARG 20 2HH1 ARG 20 -19.907 25.904 -22.163 163 HH21 ARG 20 1HH2 ARG 20 -23.122 25.408 -20.880 164 HH22 ARG 20 2HH2 ARG 20 -22.169 25.575 -22.316 165 H LYS 21 H LYS 21 -20.323 28.025 -14.058 166 HA LYS 21 HA LYS 21 -21.220 25.750 -12.504 167 HB2 LYS 21 2HB LYS 21 -20.747 26.676 -10.348 168 HB3 LYS 21 3HB LYS 21 -19.245 26.667 -11.263 169 HG2 LYS 21 2HG LYS 21 -19.309 28.993 -11.595 170 HG3 LYS 21 3HG LYS 21 -20.997 29.097 -11.089 171 HD2 LYS 21 2HD LYS 21 -19.838 27.995 -8.886 172 HD3 LYS 21 3HD LYS 21 -18.541 29.033 -9.482 173 HE2 LYS 21 2HE LYS 21 -21.354 29.835 -8.761 174 HE3 LYS 21 3HE LYS 21 -19.863 30.301 -7.944 175 HZ1 LYS 21 3HZ LYS 21 -21.116 31.468 -10.229 176 HZ2 LYS 21 1HZ LYS 21 -19.495 31.090 -10.532 177 HZ3 LYS 21 2HZ LYS 21 -19.901 32.093 -9.232 178 H LYS 22 H LYS 22 -23.155 26.210 -11.266 179 HA LYS 22 HA LYS 22 -24.470 28.716 -11.382 180 HB2 LYS 22 2HB LYS 22 -26.153 28.329 -13.009 181 HB3 LYS 22 3HB LYS 22 -24.624 27.942 -13.787 182 HG2 LYS 22 2HG LYS 22 -25.540 26.015 -14.386 183 HG3 LYS 22 3HG LYS 22 -25.455 25.536 -12.689 184 HD2 LYS 22 2HD LYS 22 -27.677 25.350 -12.753 185 HD3 LYS 22 3HD LYS 22 -27.732 27.112 -12.834 186 HE2 LYS 22 2HE LYS 22 -27.453 26.801 -15.367 187 HE3 LYS 22 3HE LYS 22 -27.885 25.118 -15.073 188 HZ1 LYS 22 3HZ LYS 22 -29.551 27.463 -15.084 189 HZ2 LYS 22 1HZ LYS 22 -29.801 26.472 -13.735 190 HZ3 LYS 22 2HZ LYS 22 -29.970 25.837 -15.294 191 H ILE 23 H ILE 23 -26.313 28.760 -10.115 192 HA ILE 23 HA ILE 23 -26.900 26.250 -8.693 193 HB ILE 23 HB ILE 23 -27.396 27.448 -6.762 194 HG12 ILE 23 2HG1 ILE 23 -27.389 30.127 -7.089 195 HG13 ILE 23 3HG1 ILE 23 -28.014 29.639 -8.661 196 HG21 ILE 23 1HG2 ILE 23 -24.954 27.669 -7.777 197 HG22 ILE 23 2HG2 ILE 23 -25.364 29.382 -7.723 198 HG23 ILE 23 3HG2 ILE 23 -25.404 28.420 -6.246 199 HD11 ILE 23 3HD1 ILE 23 -30.019 29.326 -7.795 200 HD12 ILE 23 1HD1 ILE 23 -29.370 28.182 -6.620 201 HD13 ILE 23 2HD1 ILE 23 -29.412 29.905 -6.243 202 H VAL 24 H VAL 24 -29.056 25.713 -8.201 203 HA VAL 24 HA VAL 24 -31.138 27.237 -9.601 204 HB VAL 24 HB VAL 24 -31.456 24.304 -9.691 205 HG11 VAL 24 1HG1 VAL 24 -32.826 24.775 -11.419 206 HG12 VAL 24 2HG1 VAL 24 -32.785 26.405 -10.744 207 HG13 VAL 24 3HG1 VAL 24 -31.733 25.981 -12.096 208 HG21 VAL 24 3HG2 VAL 24 -29.118 24.404 -10.253 209 HG22 VAL 24 1HG2 VAL 24 -30.045 24.115 -11.726 210 HG23 VAL 24 2HG2 VAL 24 -29.405 25.724 -11.388 211 H HIS 25 H HIS 25 -32.785 27.665 -8.297 212 HA HIS 25 HA HIS 25 -34.185 27.639 -6.502 213 HB2 HIS 25 2HB HIS 25 -34.430 25.216 -7.737 214 HB3 HIS 25 3HB HIS 25 -34.037 24.726 -6.091 215 HD1 HIS 25 HD1 HIS 25 -35.969 24.567 -4.554 216 HD2 HIS 25 HD2 HIS 25 -36.749 27.088 -7.763 217 HE1 HIS 25 HE1 HIS 25 -38.377 25.248 -4.305 218 H GLY 26 H GLY 26 -31.227 27.660 -6.079 219 HA2 GLY 26 2HA GLY 26 -30.130 28.110 -4.037 220 HA3 GLY 26 3HA GLY 26 -31.331 27.134 -3.204 221 H ASN 27 H ASN 27 -30.145 25.652 -6.007 222 HA ASN 27 HA ASN 27 -28.332 23.992 -4.382 223 HB2 ASN 27 2HB ASN 27 -29.918 23.188 -6.832 224 HB3 ASN 27 3HB ASN 27 -28.864 22.135 -5.894 225 HD21 ASN 27 1HD2 ASN 27 -31.958 22.774 -6.456 226 HD22 ASN 27 2HD2 ASN 27 -32.656 22.370 -4.928 227 H THR 28 H THR 28 -26.317 24.661 -4.790 228 HA THR 28 HA THR 28 -25.471 25.827 -7.230 229 HB THR 28 HB THR 28 -23.541 24.537 -5.331 230 HG1 THR 28 HG1 THR 28 -25.229 26.751 -4.849 231 HG21 THR 28 3HG2 THR 28 -23.399 27.258 -6.597 232 HG22 THR 28 1HG2 THR 28 -22.911 25.807 -7.473 233 HG23 THR 28 2HG2 THR 28 -22.085 26.256 -5.981 234 H SER 29 H SER 29 -24.264 25.000 -8.914 235 HA SER 29 HA SER 29 -23.680 22.135 -8.932 236 HB2 SER 29 2HB SER 29 -25.287 23.515 -11.096 237 HB3 SER 29 3HB SER 29 -24.728 21.843 -11.139 238 HG SER 29 HG SER 29 -26.988 22.591 -10.237 239 H TYR 30 H TYR 30 -21.733 21.742 -9.757 240 HA TYR 30 HA TYR 30 -20.412 23.888 -11.271 241 HB2 TYR 30 2HB TYR 30 -19.405 21.746 -9.433 242 HB3 TYR 30 3HB TYR 30 -18.328 22.424 -10.649 243 HD1 TYR 30 HD2 TYR 30 -20.901 23.924 -8.384 244 HD2 TYR 30 HD1 TYR 30 -16.845 23.891 -9.670 245 HE1 TYR 30 HE2 TYR 30 -20.419 25.820 -6.893 246 HE2 TYR 30 HE1 TYR 30 -16.351 25.786 -8.181 247 HH TYR 30 HH TYR 30 -18.849 27.156 -6.063 248 H LEU 31 H LEU 31 -20.276 23.606 -13.386 249 HA LEU 31 HA LEU 31 -20.526 20.930 -14.518 250 HB2 LEU 31 2HB LEU 31 -21.890 22.811 -15.382 251 HB3 LEU 31 3HB LEU 31 -20.406 23.602 -15.910 252 HG LEU 31 HG LEU 31 -20.021 21.963 -17.580 253 HD11 LEU 31 1HD1 LEU 31 -22.031 20.162 -17.680 254 HD12 LEU 31 2HD1 LEU 31 -21.850 20.352 -15.937 255 HD13 LEU 31 3HD1 LEU 31 -20.469 19.863 -16.918 256 HD21 LEU 31 3HD2 LEU 31 -21.513 22.920 -18.913 257 HD22 LEU 31 1HD2 LEU 31 -22.380 23.503 -17.492 258 HD23 LEU 31 2HD2 LEU 31 -22.809 21.950 -18.210 259 H VAL 32 H VAL 32 -18.730 19.796 -14.806 260 HA VAL 32 HA VAL 32 -16.303 21.213 -15.698 261 HB VAL 32 HB VAL 32 -16.143 20.264 -13.387 262 HG11 VAL 32 1HG1 VAL 32 -16.575 18.120 -12.901 263 HG12 VAL 32 2HG1 VAL 32 -17.436 18.100 -14.442 264 HG13 VAL 32 3HG1 VAL 32 -15.769 17.530 -14.354 265 HG21 VAL 32 3HG2 VAL 32 -14.105 20.658 -14.512 266 HG22 VAL 32 1HG2 VAL 32 -13.977 19.028 -13.851 267 HG23 VAL 32 2HG2 VAL 32 -14.326 19.261 -15.564 268 H LYS 33 H LYS 33 -15.111 20.322 -17.349 269 HA LYS 33 HA LYS 33 -16.519 18.445 -19.042 270 HB2 LYS 33 2HB LYS 33 -14.694 18.907 -20.653 271 HB3 LYS 33 3HB LYS 33 -15.491 20.370 -20.089 272 HG2 LYS 33 2HG LYS 33 -13.635 20.701 -18.480 273 HG3 LYS 33 3HG LYS 33 -12.820 19.307 -19.194 274 HD2 LYS 33 2HD LYS 33 -11.909 21.280 -20.192 275 HD3 LYS 33 3HD LYS 33 -12.919 20.482 -21.400 276 HE2 LYS 33 2HE LYS 33 -14.750 22.032 -20.865 277 HE3 LYS 33 3HE LYS 33 -13.711 22.840 -19.691 278 HZ1 LYS 33 3HZ LYS 33 -12.181 23.363 -21.530 279 HZ2 LYS 33 1HZ LYS 33 -13.707 24.064 -21.735 280 HZ3 LYS 33 2HZ LYS 33 -13.282 22.691 -22.625 281 H TRP 34 H TRP 34 -14.513 17.098 -20.319 282 HA TRP 34 HA TRP 34 -13.294 15.473 -18.185 283 HB2 TRP 34 2HB TRP 34 -14.581 14.506 -20.746 284 HB3 TRP 34 3HB TRP 34 -13.667 13.484 -19.639 285 HD1 TRP 34 HD1 TRP 34 -15.046 14.967 -16.992 286 HE1 TRP 34 HE1 TRP 34 -17.416 14.196 -16.348 287 HE3 TRP 34 HE3 TRP 34 -16.457 12.877 -21.439 288 HZ2 TRP 34 HZ2 TRP 34 -19.595 12.876 -17.564 289 HZ3 TRP 34 HZ3 TRP 34 -18.700 11.881 -21.616 290 HH2 TRP 34 HH2 TRP 34 -20.235 11.881 -19.717 291 H LYS 35 H LYS 35 -11.245 16.292 -18.344 292 HA LYS 35 HA LYS 35 -9.244 16.913 -19.310 293 HB2 LYS 35 2HB LYS 35 -8.100 14.998 -20.308 294 HB3 LYS 35 3HB LYS 35 -9.011 14.509 -18.886 295 HG2 LYS 35 2HG LYS 35 -10.613 13.389 -20.141 296 HG3 LYS 35 3HG LYS 35 -10.190 14.248 -21.624 297 HD2 LYS 35 2HD LYS 35 -8.079 12.593 -20.358 298 HD3 LYS 35 3HD LYS 35 -9.412 11.743 -21.143 299 HE2 LYS 35 2HE LYS 35 -8.707 13.750 -22.933 300 HE3 LYS 35 3HE LYS 35 -7.169 13.155 -22.310 301 HZ1 LYS 35 3HZ LYS 35 -9.312 11.497 -23.528 302 HZ2 LYS 35 1HZ LYS 35 -7.857 10.905 -22.899 303 HZ3 LYS 35 2HZ LYS 35 -7.843 11.914 -24.256 304 H ASN 36 H ASN 36 -11.240 18.130 -20.743 305 HA ASN 36 HA ASN 36 -11.740 19.091 -22.745 306 HB2 ASN 36 2HB ASN 36 -8.839 18.761 -22.657 307 HB3 ASN 36 3HB ASN 36 -9.463 18.852 -24.301 308 HD21 ASN 36 1HD2 ASN 36 -10.598 20.410 -21.339 309 HD22 ASN 36 2HD2 ASN 36 -10.398 22.030 -21.906 310 H TYR 37 H TYR 37 -12.914 16.789 -22.764 311 HA TYR 37 HA TYR 37 -12.263 15.576 -25.369 312 HB2 TYR 37 2HB TYR 37 -11.749 13.924 -23.733 313 HB3 TYR 37 3HB TYR 37 -13.229 14.250 -22.837 314 HD1 TYR 37 HD1 TYR 37 -15.409 13.489 -23.731 315 HD2 TYR 37 HD2 TYR 37 -11.737 12.448 -25.613 316 HE1 TYR 37 HE1 TYR 37 -16.557 11.700 -24.968 317 HE2 TYR 37 HE2 TYR 37 -12.876 10.657 -26.856 318 HH TYR 37 HH TYR 37 -15.983 9.569 -26.079 319 H SER 38 H SER 38 -14.875 16.098 -23.010 320 HA SER 38 HA SER 38 -16.875 15.820 -25.105 321 HB2 SER 38 2HB SER 38 -16.854 15.736 -22.170 322 HB3 SER 38 3HB SER 38 -18.245 16.583 -22.847 323 HG SER 38 HG SER 38 -18.451 14.234 -22.564 324 H SER 39 H SER 39 -15.698 18.294 -22.853 325 HA SER 39 HA SER 39 -15.739 20.569 -22.948 326 HB2 SER 39 2HB SER 39 -15.874 19.741 -25.721 327 HB3 SER 39 3HB SER 39 -16.775 21.235 -25.465 328 HG SER 39 HG SER 39 -14.340 21.248 -25.884 329 H LYS 40 H LYS 40 -18.416 19.959 -25.193 330 HA LYS 40 HA LYS 40 -20.167 21.597 -23.574 331 HB2 LYS 40 2HB LYS 40 -21.420 21.844 -25.444 332 HB3 LYS 40 3HB LYS 40 -19.968 21.258 -26.245 333 HG2 LYS 40 2HG LYS 40 -22.281 19.526 -25.398 334 HG3 LYS 40 3HG LYS 40 -22.025 20.152 -27.028 335 HD2 LYS 40 2HD LYS 40 -19.732 18.736 -25.840 336 HD3 LYS 40 3HD LYS 40 -21.150 17.739 -26.170 337 HE2 LYS 40 2HE LYS 40 -19.730 17.690 -28.098 338 HE3 LYS 40 3HE LYS 40 -21.162 18.641 -28.491 339 HZ1 LYS 40 3HZ LYS 40 -18.644 19.896 -27.573 340 HZ2 LYS 40 1HZ LYS 40 -19.957 20.628 -28.351 341 HZ3 LYS 40 2HZ LYS 40 -18.945 19.577 -29.207 342 H ASP 41 H ASP 41 -19.466 18.270 -23.963 343 HA ASP 41 HA ASP 41 -22.029 17.379 -22.918 344 HB2 ASP 41 2HB ASP 41 -19.748 16.141 -24.263 345 HB3 ASP 41 3HB ASP 41 -20.349 15.183 -22.914 346 H ASN 42 H ASN 42 -19.669 18.918 -21.490 347 HA ASN 42 HA ASN 42 -18.557 17.487 -19.459 348 HB2 ASN 42 2HB ASN 42 -18.917 19.638 -18.059 349 HB3 ASN 42 3HB ASN 42 -17.958 19.746 -19.532 350 HD21 ASN 42 1HD2 ASN 42 -18.343 21.884 -19.906 351 HD22 ASN 42 2HD2 ASN 42 -19.893 22.507 -20.350 352 H THR 43 H THR 43 -19.136 17.217 -17.197 353 HA THR 43 HA THR 43 -21.985 16.564 -16.908 354 HB THR 43 HB THR 43 -20.692 15.471 -14.716 355 HG1 THR 43 HG1 THR 43 -18.650 15.822 -15.604 356 HG21 THR 43 3HG2 THR 43 -22.411 14.334 -15.944 357 HG22 THR 43 1HG2 THR 43 -20.972 13.317 -15.958 358 HG23 THR 43 2HG2 THR 43 -21.401 14.257 -17.386 359 H TRP 44 H TRP 44 -23.151 17.184 -15.082 360 HA TRP 44 HA TRP 44 -22.080 19.548 -13.728 361 HB2 TRP 44 2HB TRP 44 -24.917 18.567 -13.520 362 HB3 TRP 44 3HB TRP 44 -24.298 20.204 -13.310 363 HD1 TRP 44 HD1 TRP 44 -24.006 21.692 -15.473 364 HE1 TRP 44 HE1 TRP 44 -24.780 21.412 -17.912 365 HE3 TRP 44 HE3 TRP 44 -25.308 16.749 -15.351 366 HZ2 TRP 44 HZ2 TRP 44 -25.806 19.368 -19.565 367 HZ3 TRP 44 HZ3 TRP 44 -26.178 15.708 -17.404 368 HH2 TRP 44 HH2 TRP 44 -26.422 16.992 -19.466 369 H GLU 45 H GLU 45 -21.327 19.408 -11.727 370 HA GLU 45 HA GLU 45 -22.366 17.283 -9.974 371 HB2 GLU 45 2HB GLU 45 -19.515 18.154 -10.402 372 HB3 GLU 45 3HB GLU 45 -20.017 17.295 -8.952 373 HG2 GLU 45 2HG GLU 45 -20.880 16.030 -11.439 374 HG3 GLU 45 3HG GLU 45 -19.131 16.134 -11.250 375 H THR 46 H THR 46 -23.207 18.010 -8.140 376 HA THR 46 HA THR 46 -23.621 20.602 -7.444 377 HB THR 46 HB THR 46 -23.433 19.519 -4.953 378 HG1 THR 46 HG1 THR 46 -23.933 17.325 -5.120 379 HG21 THR 46 3HG2 THR 46 -25.437 20.506 -5.909 380 HG22 THR 46 1HG2 THR 46 -25.815 18.930 -5.216 381 HG23 THR 46 2HG2 THR 46 -25.650 19.108 -6.963 382 H GLU 47 H GLU 47 -22.698 22.072 -5.948 383 HA GLU 47 HA GLU 47 -19.932 22.410 -6.157 384 HB2 GLU 47 2HB GLU 47 -21.168 24.355 -5.723 385 HB3 GLU 47 3HB GLU 47 -22.022 23.621 -4.373 386 HG2 GLU 47 2HG GLU 47 -20.008 23.676 -3.030 387 HG3 GLU 47 3HG GLU 47 -19.098 24.333 -4.389 388 H ASP 48 H ASP 48 -21.809 20.543 -3.957 389 HA ASP 48 HA ASP 48 -19.578 20.262 -2.087 390 HB2 ASP 48 2HB ASP 48 -22.491 19.858 -1.954 391 HB3 ASP 48 3HB ASP 48 -21.543 18.630 -1.118 392 H ASP 49 H ASP 49 -20.468 18.916 -4.919 393 HA ASP 49 HA ASP 49 -19.366 16.285 -4.176 394 HB2 ASP 49 2HB ASP 49 -21.865 16.529 -5.000 395 HB3 ASP 49 3HB ASP 49 -21.105 16.589 -6.588 396 H ILE 50 H ILE 50 -18.844 19.102 -5.860 397 HA ILE 50 HA ILE 50 -17.248 17.831 -7.961 398 HB ILE 50 HB ILE 50 -18.766 19.654 -8.631 399 HG12 ILE 50 2HG1 ILE 50 -16.536 21.163 -9.357 400 HG13 ILE 50 3HG1 ILE 50 -15.902 19.539 -9.118 401 HG21 ILE 50 1HG2 ILE 50 -18.862 21.656 -7.630 402 HG22 ILE 50 2HG2 ILE 50 -18.010 20.862 -6.306 403 HG23 ILE 50 3HG2 ILE 50 -17.107 21.786 -7.506 404 HD11 ILE 50 3HD1 ILE 50 -18.287 20.138 -10.841 405 HD12 ILE 50 1HD1 ILE 50 -16.632 20.089 -11.447 406 HD13 ILE 50 2HD1 ILE 50 -17.360 18.641 -10.751 407 H ARG 51 H ARG 51 -16.962 19.862 -5.114 408 HA ARG 51 HA ARG 51 -14.150 20.352 -5.487 409 HB2 ARG 51 2HB ARG 51 -14.393 21.879 -3.854 410 HB3 ARG 51 3HB ARG 51 -16.118 21.593 -4.046 411 HG2 ARG 51 2HG ARG 51 -14.383 20.091 -2.102 412 HG3 ARG 51 3HG ARG 51 -15.298 21.543 -1.692 413 HD2 ARG 51 2HD ARG 51 -17.123 19.866 -2.972 414 HD3 ARG 51 3HD ARG 51 -16.187 18.806 -1.919 415 HE ARG 51 HE ARG 51 -18.037 20.869 -1.116 416 HH11 ARG 51 1HH1 ARG 51 -15.370 18.844 -0.167 417 HH12 ARG 51 2HH1 ARG 51 -15.717 18.957 1.527 418 HH21 ARG 51 1HH2 ARG 51 -18.504 21.026 1.111 419 HH22 ARG 51 2HH2 ARG 51 -17.501 20.198 2.252 420 H THR 52 H THR 52 -16.048 17.837 -4.193 421 HA THR 52 HA THR 52 -13.983 16.851 -2.405 422 HB THR 52 HB THR 52 -16.332 16.595 -1.745 423 HG1 THR 52 HG1 THR 52 -15.271 14.022 -2.324 424 HG21 THR 52 3HG2 THR 52 -17.939 15.614 -3.005 425 HG22 THR 52 1HG2 THR 52 -16.830 14.427 -3.690 426 HG23 THR 52 2HG2 THR 52 -16.872 16.069 -4.333 427 H LYS 53 H LYS 53 -15.254 16.208 -5.598 428 HA LYS 53 HA LYS 53 -13.478 13.888 -5.876 429 HB2 LYS 53 2HB LYS 53 -15.521 14.808 -7.889 430 HB3 LYS 53 3HB LYS 53 -14.783 13.219 -7.738 431 HG2 LYS 53 2HG LYS 53 -16.771 14.465 -5.852 432 HG3 LYS 53 3HG LYS 53 -17.062 13.135 -6.975 433 HD2 LYS 53 2HD LYS 53 -15.298 11.839 -5.741 434 HD3 LYS 53 3HD LYS 53 -15.286 13.132 -4.539 435 HE2 LYS 53 2HE LYS 53 -17.205 12.438 -3.612 436 HE3 LYS 53 3HE LYS 53 -17.961 12.145 -5.177 437 HZ1 LYS 53 3HZ LYS 53 -16.654 10.063 -5.302 438 HZ2 LYS 53 1HZ LYS 53 -17.766 10.082 -4.028 439 HZ3 LYS 53 2HZ LYS 53 -16.122 10.330 -3.719 440 H TYR 54 H TYR 54 -14.113 17.097 -7.129 441 HA TYR 54 HA TYR 54 -11.623 16.911 -8.691 442 HB2 TYR 54 2HB TYR 54 -13.930 18.686 -9.466 443 HB3 TYR 54 3HB TYR 54 -12.544 18.208 -10.440 444 HD1 TYR 54 HD1 TYR 54 -12.344 15.624 -10.899 445 HD2 TYR 54 HD2 TYR 54 -15.946 17.597 -9.787 446 HE1 TYR 54 HE1 TYR 54 -13.648 13.769 -11.852 447 HE2 TYR 54 HE2 TYR 54 -17.259 15.747 -10.736 448 HH TYR 54 HH TYR 54 -15.826 13.280 -12.672 449 H GLY 55 H GLY 55 -12.005 17.798 -5.947 450 HA2 GLY 55 2HA GLY 55 -12.169 20.534 -5.587 451 HA3 GLY 55 3HA GLY 55 -11.186 19.466 -4.597 452 H ASP 56 H ASP 56 -9.684 18.746 -7.161 453 HA ASP 56 HA ASP 56 -7.495 20.455 -6.780 454 HB2 ASP 56 2HB ASP 56 -8.002 18.114 -8.210 455 HB3 ASP 56 3HB ASP 56 -7.552 19.292 -9.441 456 H LEU 57 H LEU 57 -9.814 20.333 -9.486 457 HA LEU 57 HA LEU 57 -8.819 22.829 -10.550 458 HB2 LEU 57 2HB LEU 57 -10.972 22.421 -12.033 459 HB3 LEU 57 3HB LEU 57 -9.463 21.553 -12.308 460 HG LEU 57 HG LEU 57 -11.439 20.284 -10.498 461 HD11 LEU 57 1HD1 LEU 57 -12.080 19.426 -13.103 462 HD12 LEU 57 2HD1 LEU 57 -12.173 21.187 -13.106 463 HD13 LEU 57 3HD1 LEU 57 -13.117 20.257 -11.943 464 HD21 LEU 57 3HD2 LEU 57 -10.588 18.273 -11.503 465 HD22 LEU 57 1HD2 LEU 57 -9.228 19.301 -11.051 466 HD23 LEU 57 2HD2 LEU 57 -9.734 19.200 -12.737 467 H VAL 58 H VAL 58 -11.527 21.710 -8.645 468 HA VAL 58 HA VAL 58 -13.296 23.824 -8.891 469 HB VAL 58 HB VAL 58 -12.675 22.200 -6.421 470 HG11 VAL 58 1HG1 VAL 58 -13.928 23.759 -5.398 471 HG12 VAL 58 2HG1 VAL 58 -14.574 24.383 -6.916 472 HG13 VAL 58 3HG1 VAL 58 -15.276 22.940 -6.185 473 HG21 VAL 58 3HG2 VAL 58 -13.746 20.534 -7.427 474 HG22 VAL 58 1HG2 VAL 58 -15.164 21.561 -7.640 475 HG23 VAL 58 2HG2 VAL 58 -13.911 21.520 -8.880 476 H ASP 59 H ASP 59 -10.466 23.524 -6.786 477 HA ASP 59 HA ASP 59 -10.889 26.104 -5.578 478 HB2 ASP 59 2HB ASP 59 -8.845 23.941 -5.349 479 HB3 ASP 59 3HB ASP 59 -8.403 25.561 -4.819 480 H ASP 60 H ASP 60 -10.010 25.309 -8.583 481 HA ASP 60 HA ASP 60 -8.022 27.467 -8.824 482 HB2 ASP 60 2HB ASP 60 -8.298 24.851 -10.100 483 HB3 ASP 60 3HB ASP 60 -8.045 26.156 -11.256 484 H PHE 61 H PHE 61 -11.220 26.541 -9.552 485 HA PHE 61 HA PHE 61 -11.468 28.578 -11.647 486 HB2 PHE 61 2HB PHE 61 -12.413 26.454 -12.270 487 HB3 PHE 61 3HB PHE 61 -13.327 26.364 -10.768 488 HD1 PHE 61 HD2 PHE 61 -13.046 28.110 -14.001 489 HD2 PHE 61 HD1 PHE 61 -15.428 27.425 -10.541 490 HE1 PHE 61 HE2 PHE 61 -14.957 29.199 -15.105 491 HE2 PHE 61 HE1 PHE 61 -17.343 28.512 -11.639 492 HZ PHE 61 HZ PHE 61 -17.108 29.402 -13.924 493 H GLU 62 H GLU 62 -13.547 27.458 -8.973 494 HA GLU 62 HA GLU 62 -15.013 29.800 -8.703 495 HB2 GLU 62 2HB GLU 62 -15.842 28.922 -6.691 496 HB3 GLU 62 3HB GLU 62 -15.424 27.504 -7.642 497 HG2 GLU 62 2HG GLU 62 -13.161 27.645 -6.382 498 HG3 GLU 62 3HG GLU 62 -14.068 28.634 -5.238 499 H LYS 63 H LYS 63 -11.946 28.874 -7.236 500 HA LYS 63 HA LYS 63 -11.738 31.008 -5.413 501 HB2 LYS 63 2HB LYS 63 -9.626 29.335 -6.775 502 HB3 LYS 63 3HB LYS 63 -9.266 30.510 -5.517 503 HG2 LYS 63 2HG LYS 63 -10.988 28.056 -5.239 504 HG3 LYS 63 3HG LYS 63 -9.370 28.295 -4.575 505 HD2 LYS 63 2HD LYS 63 -10.757 30.471 -3.621 506 HD3 LYS 63 3HD LYS 63 -11.961 29.182 -3.567 507 HE2 LYS 63 2HE LYS 63 -9.715 27.954 -2.577 508 HE3 LYS 63 3HE LYS 63 -9.568 29.592 -1.942 509 HZ1 LYS 63 3HZ LYS 63 -12.214 28.482 -1.701 510 HZ2 LYS 63 1HZ LYS 63 -11.266 29.279 -0.549 511 HZ3 LYS 63 2HZ LYS 63 -11.043 27.627 -0.831 512 H ASN 64 H ASN 64 -11.548 30.945 -8.802 513 HA ASN 64 HA ASN 64 -9.961 33.397 -8.940 514 HB2 ASN 64 2HB ASN 64 -10.935 31.444 -11.018 515 HB3 ASN 64 3HB ASN 64 -10.269 33.013 -11.462 516 HD21 ASN 64 1HD2 ASN 64 -9.343 30.723 -8.928 517 HD22 ASN 64 2HD2 ASN 64 -7.719 30.506 -9.476 518 H GLN 65 H GLN 65 -13.207 32.186 -9.491 519 HA GLN 65 HA GLN 65 -14.146 34.695 -10.574 520 HB2 GLN 65 2HB GLN 65 -15.867 32.408 -9.636 521 HB3 GLN 65 3HB GLN 65 -16.248 33.634 -10.839 522 HG2 GLN 65 2HG GLN 65 -14.337 31.331 -11.095 523 HG3 GLN 65 3HG GLN 65 -15.826 31.615 -11.996 524 HE21 GLN 65 1HE2 GLN 65 -12.569 31.732 -12.190 525 HE22 GLN 65 2HE2 GLN 65 -12.385 32.902 -13.447 526 H LYS 66 H LYS 66 -13.777 33.265 -7.486 527 HA LYS 66 HA LYS 66 -15.839 34.415 -6.019 528 HB2 LYS 66 2HB LYS 66 -13.059 33.535 -5.359 529 HB3 LYS 66 3HB LYS 66 -13.980 34.420 -4.150 530 HG2 LYS 66 2HG LYS 66 -15.561 32.739 -3.937 531 HG3 LYS 66 3HG LYS 66 -15.155 32.024 -5.499 532 HD2 LYS 66 2HD LYS 66 -13.550 30.742 -4.608 533 HD3 LYS 66 3HD LYS 66 -12.905 32.073 -3.645 534 HE2 LYS 66 2HE LYS 66 -15.442 30.644 -2.902 535 HE3 LYS 66 3HE LYS 66 -13.858 30.062 -2.391 536 HZ1 LYS 66 3HZ LYS 66 -13.835 31.550 -0.770 537 HZ2 LYS 66 1HZ LYS 66 -15.410 32.013 -1.181 538 HZ3 LYS 66 2HZ LYS 66 -14.086 32.824 -1.854 539 H LYS 67 H LYS 67 -13.095 35.881 -7.483 540 HA LYS 67 HA LYS 67 -12.347 38.027 -7.591 541 HB2 LYS 67 2HB LYS 67 -15.106 38.162 -7.635 542 HB3 LYS 67 3HB LYS 67 -14.676 39.296 -6.362 543 HG2 LYS 67 2HG LYS 67 -12.986 39.646 -8.671 544 HG3 LYS 67 3HG LYS 67 -14.694 39.769 -9.100 545 HD2 LYS 67 2HD LYS 67 -15.003 41.417 -7.294 546 HD3 LYS 67 3HD LYS 67 -13.278 41.321 -6.932 547 HE2 LYS 67 2HE LYS 67 -13.428 41.796 -9.679 548 HE3 LYS 67 3HE LYS 67 -14.653 42.843 -8.963 549 HZ1 LYS 67 3HZ LYS 67 -11.830 43.115 -8.932 550 HZ2 LYS 67 1HZ LYS 67 -12.431 43.076 -7.350 551 HZ3 LYS 67 2HZ LYS 67 -13.015 44.222 -8.448 Start of MODEL 10 1 H1 MET 1 H MET 1 5.977 -2.774 -10.097 2 HA MET 1 HA MET 1 4.426 -0.874 -9.912 3 HB2 MET 1 2HB MET 1 5.372 1.119 -8.644 4 HB3 MET 1 3HB MET 1 4.816 -0.236 -7.671 5 HG2 MET 1 2HG MET 1 7.662 -0.268 -8.430 6 HG3 MET 1 3HG MET 1 7.166 0.998 -7.309 7 HE1 MET 1 3HE MET 1 6.889 0.097 -4.328 8 HE2 MET 1 1HE MET 1 8.435 -0.727 -4.527 9 HE3 MET 1 2HE MET 1 8.088 0.731 -5.457 10 H HIS 2 H HIS 2 4.719 -0.518 -12.045 11 HA HIS 2 HA HIS 2 6.967 1.200 -12.804 12 HB2 HIS 2 2HB HIS 2 7.390 -1.270 -13.367 13 HB3 HIS 2 3HB HIS 2 6.118 -1.088 -14.571 14 HD1 HIS 2 HD1 HIS 2 8.861 -1.782 -15.579 15 HD2 HIS 2 HD2 HIS 2 7.589 2.139 -15.054 16 HE1 HIS 2 HE1 HIS 2 10.319 -0.394 -17.086 17 H HIS 3 H HIS 3 6.158 2.982 -13.670 18 HA HIS 3 HA HIS 3 4.356 2.989 -15.839 19 HB2 HIS 3 2HB HIS 3 2.364 3.872 -14.861 20 HB3 HIS 3 3HB HIS 3 2.783 2.427 -13.947 21 HD1 HIS 3 HD1 HIS 3 3.884 2.853 -11.556 22 HD2 HIS 3 HD2 HIS 3 2.191 6.176 -13.386 23 HE1 HIS 3 HE1 HIS 3 3.618 4.563 -9.731 24 H HIS 4 H HIS 4 3.808 5.179 -16.549 25 HA HIS 4 HA HIS 4 4.986 7.436 -15.237 26 HB2 HIS 4 2HB HIS 4 6.512 7.957 -17.213 27 HB3 HIS 4 3HB HIS 4 7.049 6.685 -16.119 28 HD1 HIS 4 HD1 HIS 4 6.316 7.361 -19.630 29 HD2 HIS 4 HD2 HIS 4 6.628 4.010 -17.194 30 HE1 HIS 4 HE1 HIS 4 6.556 5.410 -21.198 31 H HIS 5 H HIS 5 3.721 9.111 -15.676 32 HA HIS 5 HA HIS 5 2.328 9.178 -18.272 33 HB2 HIS 5 2HB HIS 5 1.286 9.475 -15.515 34 HB3 HIS 5 3HB HIS 5 0.648 10.601 -16.710 35 HD1 HIS 5 HD1 HIS 5 -1.685 9.508 -16.642 36 HD2 HIS 5 HD2 HIS 5 1.357 6.926 -17.798 37 HE1 HIS 5 HE1 HIS 5 -2.843 7.477 -17.568 38 H HIS 6 H HIS 6 1.360 11.522 -18.565 39 HA HIS 6 HA HIS 6 3.647 13.327 -18.354 40 HB2 HIS 6 2HB HIS 6 1.078 13.724 -19.897 41 HB3 HIS 6 3HB HIS 6 2.567 14.649 -20.062 42 HD1 HIS 6 HD1 HIS 6 1.003 11.383 -20.989 43 HD2 HIS 6 HD2 HIS 6 4.567 13.431 -21.593 44 HE1 HIS 6 HE1 HIS 6 2.208 10.118 -22.798 45 H HIS 7 H HIS 7 0.323 12.997 -17.303 46 HA HIS 7 HA HIS 7 0.232 15.656 -16.167 47 HB2 HIS 7 2HB HIS 7 -1.703 13.338 -15.980 48 HB3 HIS 7 3HB HIS 7 -2.001 14.948 -15.331 49 HD1 HIS 7 HD1 HIS 7 -2.754 12.979 -18.175 50 HD2 HIS 7 HD2 HIS 7 -1.733 16.964 -17.598 51 HE1 HIS 7 HE1 HIS 7 -3.530 14.178 -20.245 52 H GLU 8 H GLU 8 -0.331 15.962 -13.855 53 HA GLU 8 HA GLU 8 1.414 14.299 -12.209 54 HB2 GLU 8 2HB GLU 8 0.019 16.887 -11.504 55 HB3 GLU 8 3HB GLU 8 1.264 16.081 -10.560 56 HG2 GLU 8 2HG GLU 8 2.892 17.023 -11.733 57 HG3 GLU 8 3HG GLU 8 2.141 16.587 -13.267 58 H VAL 9 H VAL 9 -0.840 12.942 -12.921 59 HA VAL 9 HA VAL 9 -2.214 12.700 -10.342 60 HB VAL 9 HB VAL 9 -3.675 12.635 -12.985 61 HG11 VAL 9 1HG1 VAL 9 -5.208 11.509 -11.830 62 HG12 VAL 9 2HG1 VAL 9 -4.333 11.746 -10.316 63 HG13 VAL 9 3HG1 VAL 9 -5.467 12.973 -10.883 64 HG21 VAL 9 3HG2 VAL 9 -4.777 14.695 -11.632 65 HG22 VAL 9 1HG2 VAL 9 -3.100 14.824 -11.101 66 HG23 VAL 9 2HG2 VAL 9 -3.487 14.877 -12.821 67 HA PRO 10 HA PRO 10 -0.699 8.657 -12.147 68 HB2 PRO 10 2HB PRO 10 0.725 7.911 -9.959 69 HB3 PRO 10 3HB PRO 10 1.407 8.897 -11.259 70 HG2 PRO 10 2HG PRO 10 0.330 9.751 -8.600 71 HG3 PRO 10 3HG PRO 10 1.791 10.299 -9.444 72 HD2 PRO 10 2HD PRO 10 -0.510 11.726 -9.437 73 HD3 PRO 10 3HD PRO 10 0.614 11.733 -10.811 74 H GLN 11 H GLN 11 -3.229 8.785 -11.527 75 HA GLN 11 HA GLN 11 -3.623 6.565 -9.677 76 HB2 GLN 11 2HB GLN 11 -4.967 9.251 -9.433 77 HB3 GLN 11 3HB GLN 11 -5.657 7.791 -8.739 78 HG2 GLN 11 2HG GLN 11 -4.451 8.170 -6.927 79 HG3 GLN 11 3HG GLN 11 -3.009 7.817 -7.878 80 HE21 GLN 11 1HE2 GLN 11 -2.981 10.018 -9.552 81 HE22 GLN 11 2HE2 GLN 11 -2.666 11.435 -8.616 82 H THR 12 H THR 12 -5.027 8.763 -12.061 83 HA THR 12 HA THR 12 -6.238 6.575 -13.467 84 HB THR 12 HB THR 12 -8.192 8.640 -12.491 85 HG1 THR 12 HG1 THR 12 -8.199 7.713 -10.598 86 HG21 THR 12 3HG2 THR 12 -8.814 5.797 -13.162 87 HG22 THR 12 1HG2 THR 12 -8.509 6.942 -14.468 88 HG23 THR 12 2HG2 THR 12 -9.821 7.235 -13.326 89 H PHE 13 H PHE 13 -6.742 10.087 -13.053 90 HA PHE 13 HA PHE 13 -5.482 10.844 -15.432 91 HB2 PHE 13 2HB PHE 13 -7.538 11.446 -16.767 92 HB3 PHE 13 3HB PHE 13 -7.198 9.722 -16.659 93 HD1 PHE 13 HD2 PHE 13 -9.171 12.371 -14.933 94 HD2 PHE 13 HD1 PHE 13 -8.909 8.289 -16.111 95 HE1 PHE 13 HE2 PHE 13 -11.444 11.981 -14.075 96 HE2 PHE 13 HE1 PHE 13 -11.182 7.893 -15.256 97 HZ PHE 13 HZ PHE 13 -12.452 9.740 -14.235 98 H GLU 14 H GLU 14 -6.655 13.087 -16.211 99 HA GLU 14 HA GLU 14 -7.274 14.596 -13.763 100 HB2 GLU 14 2HB GLU 14 -4.859 14.778 -14.933 101 HB3 GLU 14 3HB GLU 14 -5.725 15.979 -15.880 102 HG2 GLU 14 2HG GLU 14 -6.237 17.259 -13.949 103 HG3 GLU 14 3HG GLU 14 -5.669 15.980 -12.877 104 H VAL 15 H VAL 15 -8.248 16.757 -14.246 105 HA VAL 15 HA VAL 15 -10.104 16.500 -16.513 106 HB VAL 15 HB VAL 15 -10.441 18.271 -14.094 107 HG11 VAL 15 1HG1 VAL 15 -11.963 19.137 -15.521 108 HG12 VAL 15 2HG1 VAL 15 -12.024 17.678 -16.512 109 HG13 VAL 15 3HG1 VAL 15 -12.921 17.753 -14.995 110 HG21 VAL 15 3HG2 VAL 15 -11.184 15.409 -14.543 111 HG22 VAL 15 1HG2 VAL 15 -10.493 16.176 -13.114 112 HG23 VAL 15 2HG2 VAL 15 -12.189 16.436 -13.521 113 H GLU 16 H GLU 16 -10.623 18.344 -17.771 114 HA GLU 16 HA GLU 16 -8.393 19.981 -18.398 115 HB2 GLU 16 2HB GLU 16 -10.868 19.316 -19.593 116 HB3 GLU 16 3HB GLU 16 -10.829 21.068 -19.457 117 HG2 GLU 16 2HG GLU 16 -8.464 19.629 -20.559 118 HG3 GLU 16 3HG GLU 16 -9.883 19.886 -21.572 119 H ARG 17 H ARG 17 -11.662 21.070 -17.484 120 HA ARG 17 HA ARG 17 -10.822 22.696 -15.341 121 HB2 ARG 17 2HB ARG 17 -10.604 24.805 -16.222 122 HB3 ARG 17 3HB ARG 17 -9.937 23.853 -17.542 123 HG2 ARG 17 2HG ARG 17 -12.745 24.929 -17.373 124 HG3 ARG 17 3HG ARG 17 -11.439 25.563 -18.377 125 HD2 ARG 17 2HD ARG 17 -11.473 22.933 -19.097 126 HD3 ARG 17 3HD ARG 17 -13.181 23.242 -18.786 127 HE ARG 17 HE ARG 17 -13.251 24.502 -20.688 128 HH11 ARG 17 1HH1 ARG 17 -9.931 24.135 -19.707 129 HH12 ARG 17 2HH1 ARG 17 -9.291 24.889 -21.129 130 HH21 ARG 17 1HH2 ARG 17 -12.421 25.497 -22.565 131 HH22 ARG 17 2HH2 ARG 17 -10.708 25.665 -22.754 132 H ILE 18 H ILE 18 -12.576 24.137 -14.568 133 HA ILE 18 HA ILE 18 -15.077 22.797 -14.688 134 HB ILE 18 HB ILE 18 -14.491 25.537 -13.560 135 HG12 ILE 18 2HG1 ILE 18 -13.123 23.519 -12.703 136 HG13 ILE 18 3HG1 ILE 18 -13.932 24.535 -11.516 137 HG21 ILE 18 1HG2 ILE 18 -16.462 25.028 -12.120 138 HG22 ILE 18 2HG2 ILE 18 -16.846 25.221 -13.830 139 HG23 ILE 18 3HG2 ILE 18 -16.763 23.608 -13.122 140 HD11 ILE 18 3HD1 ILE 18 -15.487 22.927 -11.004 141 HD12 ILE 18 1HD1 ILE 18 -15.316 22.112 -12.559 142 HD13 ILE 18 2HD1 ILE 18 -14.057 21.948 -11.334 143 H VAL 19 H VAL 19 -16.344 22.867 -16.425 144 HA VAL 19 HA VAL 19 -16.299 24.828 -18.421 145 HB VAL 19 HB VAL 19 -18.683 23.100 -17.772 146 HG11 VAL 19 1HG1 VAL 19 -19.455 23.573 -19.843 147 HG12 VAL 19 2HG1 VAL 19 -18.472 25.025 -19.638 148 HG13 VAL 19 3HG1 VAL 19 -17.839 23.650 -20.545 149 HG21 VAL 19 3HG2 VAL 19 -16.014 22.380 -18.832 150 HG22 VAL 19 1HG2 VAL 19 -17.163 21.420 -17.899 151 HG23 VAL 19 2HG2 VAL 19 -17.413 21.660 -19.628 152 H ARG 20 H ARG 20 -18.680 24.323 -15.817 153 HA ARG 20 HA ARG 20 -19.047 27.124 -15.433 154 HB2 ARG 20 2HB ARG 20 -21.419 27.228 -16.103 155 HB3 ARG 20 3HB ARG 20 -20.355 26.927 -17.470 156 HG2 ARG 20 2HG ARG 20 -21.353 24.489 -16.222 157 HG3 ARG 20 3HG ARG 20 -22.624 25.526 -16.873 158 HD2 ARG 20 2HD ARG 20 -20.722 25.571 -18.854 159 HD3 ARG 20 3HD ARG 20 -20.619 23.917 -18.254 160 HE ARG 20 HE ARG 20 -23.261 24.227 -18.568 161 HH11 ARG 20 1HH1 ARG 20 -20.577 24.939 -20.667 162 HH12 ARG 20 2HH1 ARG 20 -21.475 24.667 -22.123 163 HH21 ARG 20 1HH2 ARG 20 -24.454 23.865 -20.478 164 HH22 ARG 20 2HH2 ARG 20 -23.680 24.057 -22.015 165 H LYS 21 H LYS 21 -21.403 27.281 -14.171 166 HA LYS 21 HA LYS 21 -21.736 25.032 -12.370 167 HB2 LYS 21 2HB LYS 21 -21.239 26.227 -10.353 168 HB3 LYS 21 3HB LYS 21 -19.850 26.377 -11.421 169 HG2 LYS 21 2HG LYS 21 -20.368 28.619 -11.942 170 HG3 LYS 21 3HG LYS 21 -21.977 28.489 -11.227 171 HD2 LYS 21 2HD LYS 21 -20.387 27.814 -9.121 172 HD3 LYS 21 3HD LYS 21 -19.380 28.997 -9.958 173 HE2 LYS 21 2HE LYS 21 -21.573 30.401 -10.029 174 HE3 LYS 21 3HE LYS 21 -22.079 29.339 -8.716 175 HZ1 LYS 21 3HZ LYS 21 -19.517 30.823 -8.655 176 HZ2 LYS 21 1HZ LYS 21 -20.319 30.071 -7.369 177 HZ3 LYS 21 2HZ LYS 21 -20.957 31.478 -8.056 178 H LYS 22 H LYS 22 -23.593 25.272 -10.958 179 HA LYS 22 HA LYS 22 -25.343 27.495 -11.128 180 HB2 LYS 22 2HB LYS 22 -27.080 26.661 -12.513 181 HB3 LYS 22 3HB LYS 22 -25.590 26.461 -13.426 182 HG2 LYS 22 2HG LYS 22 -26.186 24.351 -13.746 183 HG3 LYS 22 3HG LYS 22 -25.871 24.077 -12.031 184 HD2 LYS 22 2HD LYS 22 -28.022 23.518 -11.842 185 HD3 LYS 22 3HD LYS 22 -28.397 25.225 -12.087 186 HE2 LYS 22 2HE LYS 22 -28.304 24.699 -14.586 187 HE3 LYS 22 3HE LYS 22 -28.359 23.003 -14.109 188 HZ1 LYS 22 3HZ LYS 22 -30.538 23.159 -13.851 189 HZ2 LYS 22 1HZ LYS 22 -30.493 24.759 -14.397 190 HZ3 LYS 22 2HZ LYS 22 -30.369 24.426 -12.744 191 H ILE 23 H ILE 23 -27.048 27.346 -9.681 192 HA ILE 23 HA ILE 23 -27.045 24.920 -8.010 193 HB ILE 23 HB ILE 23 -27.508 26.193 -6.117 194 HG12 ILE 23 2HG1 ILE 23 -27.935 28.810 -6.623 195 HG13 ILE 23 3HG1 ILE 23 -28.646 28.109 -8.072 196 HG21 ILE 23 1HG2 ILE 23 -25.275 26.740 -7.546 197 HG22 ILE 23 2HG2 ILE 23 -25.931 28.360 -7.319 198 HG23 ILE 23 3HG2 ILE 23 -25.586 27.345 -5.919 199 HD11 ILE 23 3HD1 ILE 23 -29.792 28.373 -5.520 200 HD12 ILE 23 1HD1 ILE 23 -30.479 27.605 -6.951 201 HD13 ILE 23 2HD1 ILE 23 -29.547 26.649 -5.799 202 H VAL 24 H VAL 24 -29.023 24.119 -7.217 203 HA VAL 24 HA VAL 24 -31.463 25.204 -8.435 204 HB VAL 24 HB VAL 24 -31.360 22.263 -8.328 205 HG11 VAL 24 1HG1 VAL 24 -32.927 22.421 -9.944 206 HG12 VAL 24 2HG1 VAL 24 -33.056 24.083 -9.363 207 HG13 VAL 24 3HG1 VAL 24 -32.081 23.718 -10.787 208 HG21 VAL 24 3HG2 VAL 24 -29.685 23.803 -10.308 209 HG22 VAL 24 1HG2 VAL 24 -29.118 22.624 -9.125 210 HG23 VAL 24 2HG2 VAL 24 -30.126 22.104 -10.477 211 H HIS 25 H HIS 25 -33.024 25.441 -6.981 212 HA HIS 25 HA HIS 25 -34.189 25.336 -5.028 213 HB2 HIS 25 2HB HIS 25 -34.186 22.832 -6.075 214 HB3 HIS 25 3HB HIS 25 -33.473 22.519 -4.495 215 HD1 HIS 25 HD1 HIS 25 -36.551 22.134 -5.893 216 HD2 HIS 25 HD2 HIS 25 -35.311 24.287 -2.564 217 HE1 HIS 25 HE1 HIS 25 -38.607 22.418 -4.473 218 H GLY 26 H GLY 26 -31.252 25.878 -4.972 219 HA2 GLY 26 2HA GLY 26 -30.017 26.661 -3.124 220 HA3 GLY 26 3HA GLY 26 -30.950 25.599 -2.079 221 H ASN 27 H ASN 27 -29.804 24.112 -4.918 222 HA ASN 27 HA ASN 27 -27.601 22.882 -3.395 223 HB2 ASN 27 2HB ASN 27 -29.405 21.653 -5.489 224 HB3 ASN 27 3HB ASN 27 -27.986 20.857 -4.814 225 HD21 ASN 27 1HD2 ASN 27 -30.823 20.121 -4.727 226 HD22 ASN 27 2HD2 ASN 27 -31.213 19.960 -3.051 227 H THR 28 H THR 28 -25.776 23.800 -4.101 228 HA THR 28 HA THR 28 -25.410 24.839 -6.715 229 HB THR 28 HB THR 28 -23.174 24.078 -4.841 230 HG1 THR 28 HG1 THR 28 -23.495 26.165 -3.912 231 HG21 THR 28 3HG2 THR 28 -23.521 25.960 -7.137 232 HG22 THR 28 1HG2 THR 28 -22.199 24.845 -6.790 233 HG23 THR 28 2HG2 THR 28 -22.354 26.343 -5.871 234 H SER 29 H SER 29 -24.183 24.065 -8.434 235 HA SER 29 HA SER 29 -23.129 21.352 -8.295 236 HB2 SER 29 2HB SER 29 -25.191 22.145 -10.365 237 HB3 SER 29 3HB SER 29 -24.383 20.583 -10.240 238 HG SER 29 HG SER 29 -25.355 20.689 -7.971 239 H TYR 30 H TYR 30 -21.209 21.324 -9.241 240 HA TYR 30 HA TYR 30 -20.541 23.450 -11.146 241 HB2 TYR 30 2HB TYR 30 -18.915 21.705 -9.326 242 HB3 TYR 30 3HB TYR 30 -18.157 22.478 -10.714 243 HD1 TYR 30 HD1 TYR 30 -20.661 23.608 -8.172 244 HD2 TYR 30 HD2 TYR 30 -16.912 24.301 -10.061 245 HE1 TYR 30 HE1 TYR 30 -20.392 25.674 -6.865 246 HE2 TYR 30 HE2 TYR 30 -16.632 26.369 -8.758 247 HH TYR 30 HH TYR 30 -18.766 27.201 -6.149 248 H LEU 31 H LEU 31 -20.641 22.974 -13.229 249 HA LEU 31 HA LEU 31 -20.531 20.199 -14.103 250 HB2 LEU 31 2HB LEU 31 -22.302 21.673 -14.945 251 HB3 LEU 31 3HB LEU 31 -21.079 22.725 -15.656 252 HG LEU 31 HG LEU 31 -20.509 21.105 -17.291 253 HD11 LEU 31 1HD1 LEU 31 -22.015 18.904 -17.153 254 HD12 LEU 31 2HD1 LEU 31 -21.854 19.243 -15.430 255 HD13 LEU 31 3HD1 LEU 31 -20.414 19.018 -16.423 256 HD21 LEU 31 3HD2 LEU 31 -23.328 21.794 -16.875 257 HD22 LEU 31 1HD2 LEU 31 -23.058 20.428 -17.958 258 HD23 LEU 31 2HD2 LEU 31 -22.307 21.987 -18.301 259 H VAL 32 H VAL 32 -18.591 19.362 -14.486 260 HA VAL 32 HA VAL 32 -16.564 21.061 -15.790 261 HB VAL 32 HB VAL 32 -16.005 20.298 -13.461 262 HG11 VAL 32 1HG1 VAL 32 -17.036 18.089 -13.562 263 HG12 VAL 32 2HG1 VAL 32 -15.865 17.589 -14.784 264 HG13 VAL 32 3HG1 VAL 32 -15.326 17.969 -13.147 265 HG21 VAL 32 3HG2 VAL 32 -14.248 20.976 -14.961 266 HG22 VAL 32 1HG2 VAL 32 -13.711 19.561 -14.056 267 HG23 VAL 32 2HG2 VAL 32 -14.237 19.388 -15.730 268 H LYS 33 H LYS 33 -15.325 20.173 -17.452 269 HA LYS 33 HA LYS 33 -16.626 17.999 -18.878 270 HB2 LYS 33 2HB LYS 33 -15.048 18.622 -20.714 271 HB3 LYS 33 3HB LYS 33 -16.096 19.935 -20.192 272 HG2 LYS 33 2HG LYS 33 -14.291 20.913 -18.913 273 HG3 LYS 33 3HG LYS 33 -13.235 19.560 -19.327 274 HD2 LYS 33 2HD LYS 33 -12.570 21.090 -20.898 275 HD3 LYS 33 3HD LYS 33 -13.855 20.270 -21.789 276 HE2 LYS 33 2HE LYS 33 -14.515 22.655 -20.119 277 HE3 LYS 33 3HE LYS 33 -13.755 22.886 -21.693 278 HZ1 LYS 33 3HZ LYS 33 -15.690 22.534 -22.681 279 HZ2 LYS 33 1HZ LYS 33 -16.439 22.453 -21.166 280 HZ3 LYS 33 2HZ LYS 33 -15.881 21.040 -21.910 281 H TRP 34 H TRP 34 -14.683 16.806 -20.289 282 HA TRP 34 HA TRP 34 -12.882 15.652 -18.262 283 HB2 TRP 34 2HB TRP 34 -14.341 14.186 -20.472 284 HB3 TRP 34 3HB TRP 34 -13.162 13.465 -19.380 285 HD1 TRP 34 HD1 TRP 34 -14.405 15.062 -16.755 286 HE1 TRP 34 HE1 TRP 34 -16.552 14.096 -15.716 287 HE3 TRP 34 HE3 TRP 34 -16.058 12.301 -20.728 288 HZ2 TRP 34 HZ2 TRP 34 -18.667 12.388 -16.479 289 HZ3 TRP 34 HZ3 TRP 34 -18.151 11.030 -20.491 290 HH2 TRP 34 HH2 TRP 34 -19.427 11.073 -18.409 291 H LYS 35 H LYS 35 -11.252 17.105 -19.024 292 HA LYS 35 HA LYS 35 -9.454 17.713 -20.280 293 HB2 LYS 35 2HB LYS 35 -9.625 14.976 -21.531 294 HB3 LYS 35 3HB LYS 35 -8.191 15.963 -21.276 295 HG2 LYS 35 2HG LYS 35 -7.846 14.756 -19.446 296 HG3 LYS 35 3HG LYS 35 -9.204 15.629 -18.731 297 HD2 LYS 35 2HD LYS 35 -10.200 13.648 -18.491 298 HD3 LYS 35 3HD LYS 35 -10.401 13.637 -20.245 299 HE2 LYS 35 2HE LYS 35 -8.198 12.531 -20.449 300 HE3 LYS 35 3HE LYS 35 -8.091 12.475 -18.690 301 HZ1 LYS 35 3HZ LYS 35 -8.931 10.413 -19.180 302 HZ2 LYS 35 1HZ LYS 35 -9.853 10.960 -20.490 303 HZ3 LYS 35 2HZ LYS 35 -10.362 11.273 -18.908 304 H ASN 36 H ASN 36 -12.048 18.327 -21.342 305 HA ASN 36 HA ASN 36 -12.986 19.203 -23.219 306 HB2 ASN 36 2HB ASN 36 -10.174 19.534 -23.536 307 HB3 ASN 36 3HB ASN 36 -10.844 19.090 -25.103 308 HD21 ASN 36 1HD2 ASN 36 -11.191 21.338 -22.414 309 HD22 ASN 36 2HD2 ASN 36 -11.845 22.636 -23.347 310 H TYR 37 H TYR 37 -12.495 16.192 -22.814 311 HA TYR 37 HA TYR 37 -12.452 15.101 -25.464 312 HB2 TYR 37 2HB TYR 37 -11.612 13.797 -23.582 313 HB3 TYR 37 3HB TYR 37 -13.197 13.840 -22.816 314 HD1 TYR 37 HD2 TYR 37 -11.315 12.516 -25.713 315 HD2 TYR 37 HD1 TYR 37 -14.885 12.287 -23.411 316 HE1 TYR 37 HE2 TYR 37 -11.930 10.443 -26.884 317 HE2 TYR 37 HE1 TYR 37 -15.510 10.212 -24.575 318 HH TYR 37 HH TYR 37 -14.768 9.235 -27.119 319 H SER 38 H SER 38 -14.886 16.237 -23.276 320 HA SER 38 HA SER 38 -16.902 16.041 -25.310 321 HB2 SER 38 2HB SER 38 -17.489 14.550 -22.756 322 HB3 SER 38 3HB SER 38 -18.398 14.534 -24.267 323 HG SER 38 HG SER 38 -17.202 12.658 -24.161 324 H SER 39 H SER 39 -16.470 18.352 -24.738 325 HA SER 39 HA SER 39 -17.060 19.534 -22.311 326 HB2 SER 39 2HB SER 39 -16.088 20.878 -24.024 327 HB3 SER 39 3HB SER 39 -17.421 20.553 -25.131 328 HG SER 39 HG SER 39 -18.486 22.135 -24.261 329 H LYS 40 H LYS 40 -19.202 18.172 -24.666 330 HA LYS 40 HA LYS 40 -21.562 19.418 -23.522 331 HB2 LYS 40 2HB LYS 40 -21.273 17.332 -25.692 332 HB3 LYS 40 3HB LYS 40 -22.787 18.091 -25.218 333 HG2 LYS 40 2HG LYS 40 -22.162 19.282 -27.100 334 HG3 LYS 40 3HG LYS 40 -21.602 20.307 -25.776 335 HD2 LYS 40 2HD LYS 40 -19.476 20.125 -26.427 336 HD3 LYS 40 3HD LYS 40 -19.595 18.368 -26.550 337 HE2 LYS 40 2HE LYS 40 -20.943 18.963 -28.739 338 HE3 LYS 40 3HE LYS 40 -20.017 20.459 -28.628 339 HZ1 LYS 40 3HZ LYS 40 -18.616 19.172 -29.863 340 HZ2 LYS 40 1HZ LYS 40 -19.079 17.725 -29.118 341 HZ3 LYS 40 2HZ LYS 40 -18.047 18.797 -28.315 342 H ASP 41 H ASP 41 -19.846 16.386 -23.389 343 HA ASP 41 HA ASP 41 -21.994 15.059 -21.950 344 HB2 ASP 41 2HB ASP 41 -20.224 14.043 -23.652 345 HB3 ASP 41 3HB ASP 41 -19.273 13.861 -22.181 346 H ASN 42 H ASN 42 -20.105 17.398 -21.022 347 HA ASN 42 HA ASN 42 -18.536 16.642 -18.900 348 HB2 ASN 42 2HB ASN 42 -19.167 18.887 -17.892 349 HB3 ASN 42 3HB ASN 42 -18.541 18.932 -19.538 350 HD21 ASN 42 1HD2 ASN 42 -19.582 21.026 -19.602 351 HD22 ASN 42 2HD2 ASN 42 -21.266 21.121 -19.978 352 H THR 43 H THR 43 -18.890 16.581 -16.612 353 HA THR 43 HA THR 43 -21.562 15.560 -15.925 354 HB THR 43 HB THR 43 -19.883 14.924 -13.806 355 HG1 THR 43 HG1 THR 43 -17.959 15.131 -14.739 356 HG21 THR 43 3HG2 THR 43 -20.942 13.402 -16.163 357 HG22 THR 43 1HG2 THR 43 -21.465 13.350 -14.480 358 HG23 THR 43 2HG2 THR 43 -19.938 12.605 -14.953 359 H TRP 44 H TRP 44 -22.607 16.245 -14.052 360 HA TRP 44 HA TRP 44 -21.719 18.859 -13.073 361 HB2 TRP 44 2HB TRP 44 -24.387 17.632 -12.446 362 HB3 TRP 44 3HB TRP 44 -23.946 19.334 -12.546 363 HD1 TRP 44 HD1 TRP 44 -24.076 20.496 -14.908 364 HE1 TRP 44 HE1 TRP 44 -25.038 19.763 -17.180 365 HE3 TRP 44 HE3 TRP 44 -24.701 15.513 -13.955 366 HZ2 TRP 44 HZ2 TRP 44 -25.942 17.387 -18.405 367 HZ3 TRP 44 HZ3 TRP 44 -25.621 14.079 -15.730 368 HH2 TRP 44 HH2 TRP 44 -26.229 14.998 -17.908 369 H GLU 45 H GLU 45 -20.391 18.650 -11.373 370 HA GLU 45 HA GLU 45 -21.087 16.708 -9.280 371 HB2 GLU 45 2HB GLU 45 -18.485 18.081 -9.955 372 HB3 GLU 45 3HB GLU 45 -18.724 17.144 -8.486 373 HG2 GLU 45 2HG GLU 45 -19.585 15.527 -10.619 374 HG3 GLU 45 3HG GLU 45 -18.053 16.248 -11.110 375 H THR 46 H THR 46 -21.901 17.414 -7.427 376 HA THR 46 HA THR 46 -22.714 19.950 -6.865 377 HB THR 46 HB THR 46 -22.180 19.090 -4.336 378 HG1 THR 46 HG1 THR 46 -22.052 16.925 -4.282 379 HG21 THR 46 3HG2 THR 46 -24.381 19.668 -5.099 380 HG22 THR 46 1HG2 THR 46 -24.449 18.039 -4.429 381 HG23 THR 46 2HG2 THR 46 -24.428 18.273 -6.177 382 H GLU 47 H GLU 47 -21.957 21.650 -5.524 383 HA GLU 47 HA GLU 47 -19.300 22.413 -5.962 384 HB2 GLU 47 2HB GLU 47 -20.776 24.179 -5.577 385 HB3 GLU 47 3HB GLU 47 -21.474 23.414 -4.157 386 HG2 GLU 47 2HG GLU 47 -19.453 23.852 -2.894 387 HG3 GLU 47 3HG GLU 47 -18.695 24.558 -4.320 388 H ASP 48 H ASP 48 -20.658 20.351 -3.605 389 HA ASP 48 HA ASP 48 -18.352 20.626 -1.822 390 HB2 ASP 48 2HB ASP 48 -21.069 20.147 -1.351 391 HB3 ASP 48 3HB ASP 48 -20.273 18.610 -1.024 392 H ASP 49 H ASP 49 -19.064 18.985 -4.542 393 HA ASP 49 HA ASP 49 -17.351 16.721 -3.765 394 HB2 ASP 49 2HB ASP 49 -20.007 16.451 -4.391 395 HB3 ASP 49 3HB ASP 49 -19.237 16.175 -5.951 396 H ILE 50 H ILE 50 -17.514 19.436 -5.523 397 HA ILE 50 HA ILE 50 -16.142 18.358 -7.879 398 HB ILE 50 HB ILE 50 -18.007 19.946 -8.254 399 HG12 ILE 50 2HG1 ILE 50 -16.198 21.695 -9.424 400 HG13 ILE 50 3HG1 ILE 50 -15.280 20.202 -9.260 401 HG21 ILE 50 1HG2 ILE 50 -18.038 22.112 -7.483 402 HG22 ILE 50 2HG2 ILE 50 -17.281 21.278 -6.126 403 HG23 ILE 50 3HG2 ILE 50 -16.289 22.177 -7.273 404 HD11 ILE 50 3HD1 ILE 50 -18.021 20.154 -10.437 405 HD12 ILE 50 1HD1 ILE 50 -16.635 20.639 -11.412 406 HD13 ILE 50 2HD1 ILE 50 -16.678 19.037 -10.675 407 H ARG 51 H ARG 51 -15.717 20.628 -5.207 408 HA ARG 51 HA ARG 51 -13.058 21.370 -6.023 409 HB2 ARG 51 2HB ARG 51 -13.094 22.334 -3.581 410 HB3 ARG 51 3HB ARG 51 -14.038 23.097 -4.854 411 HG2 ARG 51 2HG ARG 51 -15.399 22.957 -2.907 412 HG3 ARG 51 3HG ARG 51 -16.011 21.790 -4.080 413 HD2 ARG 51 2HD ARG 51 -15.694 20.111 -2.658 414 HD3 ARG 51 3HD ARG 51 -14.010 20.572 -2.419 415 HE ARG 51 HE ARG 51 -15.235 22.329 -0.849 416 HH11 ARG 51 1HH1 ARG 51 -15.740 18.905 -1.224 417 HH12 ARG 51 2HH1 ARG 51 -16.265 18.672 0.411 418 HH21 ARG 51 1HH2 ARG 51 -15.924 22.035 1.305 419 HH22 ARG 51 2HH2 ARG 51 -16.370 20.452 1.848 420 H THR 52 H THR 52 -14.450 18.800 -4.280 421 HA THR 52 HA THR 52 -12.095 18.222 -2.694 422 HB THR 52 HB THR 52 -14.374 17.718 -1.838 423 HG1 THR 52 HG1 THR 52 -12.916 16.499 -0.805 424 HG21 THR 52 3HG2 THR 52 -15.094 16.874 -4.197 425 HG22 THR 52 1HG2 THR 52 -15.763 16.108 -2.758 426 HG23 THR 52 2HG2 THR 52 -14.449 15.330 -3.640 427 H LYS 53 H LYS 53 -13.515 17.235 -5.718 428 HA LYS 53 HA LYS 53 -11.455 15.161 -6.034 429 HB2 LYS 53 2HB LYS 53 -13.893 15.591 -7.762 430 HB3 LYS 53 3HB LYS 53 -12.830 14.190 -7.745 431 HG2 LYS 53 2HG LYS 53 -14.743 15.051 -5.590 432 HG3 LYS 53 3HG LYS 53 -14.853 13.620 -6.617 433 HD2 LYS 53 2HD LYS 53 -12.657 14.164 -4.619 434 HD3 LYS 53 3HD LYS 53 -14.039 13.100 -4.346 435 HE2 LYS 53 2HE LYS 53 -12.943 12.265 -6.771 436 HE3 LYS 53 3HE LYS 53 -11.557 12.583 -5.730 437 HZ1 LYS 53 3HZ LYS 53 -13.113 11.239 -4.056 438 HZ2 LYS 53 1HZ LYS 53 -11.979 10.489 -5.063 439 HZ3 LYS 53 2HZ LYS 53 -13.609 10.537 -5.513 440 H TYR 54 H TYR 54 -12.739 18.116 -7.399 441 HA TYR 54 HA TYR 54 -10.453 18.179 -9.257 442 HB2 TYR 54 2HB TYR 54 -13.077 19.532 -9.843 443 HB3 TYR 54 3HB TYR 54 -11.765 19.156 -10.955 444 HD1 TYR 54 HD2 TYR 54 -11.218 16.504 -11.018 445 HD2 TYR 54 HD1 TYR 54 -14.973 18.244 -10.032 446 HE1 TYR 54 HE2 TYR 54 -12.347 14.412 -11.648 447 HE2 TYR 54 HE1 TYR 54 -16.112 16.156 -10.658 448 HH TYR 54 HH TYR 54 -14.327 13.251 -11.430 449 H GLY 55 H GLY 55 -10.767 19.239 -6.518 450 HA2 GLY 55 2HA GLY 55 -11.279 21.935 -6.334 451 HA3 GLY 55 3HA GLY 55 -10.042 21.112 -5.397 452 H ASP 56 H ASP 56 -8.664 20.395 -7.994 453 HA ASP 56 HA ASP 56 -6.759 22.429 -8.008 454 HB2 ASP 56 2HB ASP 56 -7.080 19.943 -9.253 455 HB3 ASP 56 3HB ASP 56 -6.908 21.094 -10.575 456 H LEU 57 H LEU 57 -9.299 21.779 -10.425 457 HA LEU 57 HA LEU 57 -8.814 24.319 -11.718 458 HB2 LEU 57 2HB LEU 57 -11.011 23.483 -12.941 459 HB3 LEU 57 3HB LEU 57 -9.412 22.853 -13.335 460 HG LEU 57 HG LEU 57 -10.979 21.406 -11.271 461 HD11 LEU 57 1HD1 LEU 57 -12.003 21.944 -13.913 462 HD12 LEU 57 2HD1 LEU 57 -12.761 21.104 -12.560 463 HD13 LEU 57 3HD1 LEU 57 -11.719 20.220 -13.675 464 HD21 LEU 57 3HD2 LEU 57 -9.885 19.496 -12.234 465 HD22 LEU 57 1HD2 LEU 57 -8.686 20.763 -11.971 466 HD23 LEU 57 2HD2 LEU 57 -9.306 20.460 -13.594 467 H VAL 58 H VAL 58 -11.140 22.916 -9.511 468 HA VAL 58 HA VAL 58 -13.218 24.742 -9.680 469 HB VAL 58 HB VAL 58 -12.183 23.383 -7.187 470 HG11 VAL 58 1HG1 VAL 58 -13.622 24.947 -6.323 471 HG12 VAL 58 2HG1 VAL 58 -14.630 24.981 -7.771 472 HG13 VAL 58 3HG1 VAL 58 -14.739 23.623 -6.651 473 HG21 VAL 58 3HG2 VAL 58 -14.567 22.230 -8.248 474 HG22 VAL 58 1HG2 VAL 58 -13.353 22.311 -9.524 475 HG23 VAL 58 2HG2 VAL 58 -12.987 21.483 -8.010 476 H ASP 59 H ASP 59 -10.177 24.965 -7.900 477 HA ASP 59 HA ASP 59 -10.874 27.487 -6.689 478 HB2 ASP 59 2HB ASP 59 -8.266 25.960 -6.804 479 HB3 ASP 59 3HB ASP 59 -8.502 27.453 -5.899 480 H ASP 60 H ASP 60 -10.322 26.796 -9.758 481 HA ASP 60 HA ASP 60 -8.743 29.233 -10.259 482 HB2 ASP 60 2HB ASP 60 -7.880 26.889 -11.026 483 HB3 ASP 60 3HB ASP 60 -9.076 27.067 -12.307 484 H PHE 61 H PHE 61 -11.741 27.653 -10.677 485 HA PHE 61 HA PHE 61 -12.564 29.472 -12.819 486 HB2 PHE 61 2HB PHE 61 -13.160 27.171 -13.205 487 HB3 PHE 61 3HB PHE 61 -13.898 27.044 -11.612 488 HD1 PHE 61 HD2 PHE 61 -14.269 28.395 -14.999 489 HD2 PHE 61 HD1 PHE 61 -16.098 27.892 -11.189 490 HE1 PHE 61 HE2 PHE 61 -16.439 29.044 -15.959 491 HE2 PHE 61 HE1 PHE 61 -18.272 28.539 -12.143 492 HZ PHE 61 HZ PHE 61 -18.444 29.118 -14.531 493 H GLU 62 H GLU 62 -13.863 28.306 -9.705 494 HA GLU 62 HA GLU 62 -15.767 30.392 -9.474 495 HB2 GLU 62 2HB GLU 62 -16.279 29.506 -7.357 496 HB3 GLU 62 3HB GLU 62 -15.776 28.117 -8.309 497 HG2 GLU 62 2HG GLU 62 -13.428 28.660 -7.272 498 HG3 GLU 62 3HG GLU 62 -14.404 29.462 -6.042 499 H LYS 63 H LYS 63 -12.460 29.995 -8.364 500 HA LYS 63 HA LYS 63 -12.416 32.227 -6.616 501 HB2 LYS 63 2HB LYS 63 -10.182 30.794 -8.062 502 HB3 LYS 63 3HB LYS 63 -9.931 32.026 -6.833 503 HG2 LYS 63 2HG LYS 63 -11.389 29.430 -6.390 504 HG3 LYS 63 3HG LYS 63 -9.702 29.732 -5.969 505 HD2 LYS 63 2HD LYS 63 -10.913 31.834 -4.763 506 HD3 LYS 63 3HD LYS 63 -12.177 30.608 -4.637 507 HE2 LYS 63 2HE LYS 63 -10.156 29.109 -3.845 508 HE3 LYS 63 3HE LYS 63 -9.452 30.672 -3.435 509 HZ1 LYS 63 3HZ LYS 63 -12.067 30.688 -2.501 510 HZ2 LYS 63 1HZ LYS 63 -10.643 30.640 -1.587 511 HZ3 LYS 63 2HZ LYS 63 -11.407 29.200 -2.038 512 H ASN 64 H ASN 64 -12.564 32.010 -9.976 513 HA ASN 64 HA ASN 64 -11.272 34.607 -10.387 514 HB2 ASN 64 2HB ASN 64 -12.158 32.417 -12.254 515 HB3 ASN 64 3HB ASN 64 -11.778 34.029 -12.853 516 HD21 ASN 64 1HD2 ASN 64 -10.267 32.135 -10.280 517 HD22 ASN 64 2HD2 ASN 64 -8.695 32.091 -10.996 518 H GLN 65 H GLN 65 -14.370 32.956 -10.847 519 HA GLN 65 HA GLN 65 -15.661 35.382 -11.752 520 HB2 GLN 65 2HB GLN 65 -17.647 34.037 -11.984 521 HB3 GLN 65 3HB GLN 65 -16.282 33.146 -12.645 522 HG2 GLN 65 2HG GLN 65 -16.925 31.434 -11.400 523 HG3 GLN 65 3HG GLN 65 -16.390 32.353 -9.994 524 HE21 GLN 65 1HE2 GLN 65 -17.880 33.243 -8.636 525 HE22 GLN 65 2HE2 GLN 65 -19.579 32.956 -8.765 526 H LYS 66 H LYS 66 -14.752 34.208 -8.800 527 HA LYS 66 HA LYS 66 -16.945 34.607 -7.132 528 HB2 LYS 66 2HB LYS 66 -15.242 35.051 -5.349 529 HB3 LYS 66 3HB LYS 66 -14.966 33.574 -6.263 530 HG2 LYS 66 2HG LYS 66 -12.851 34.456 -6.153 531 HG3 LYS 66 3HG LYS 66 -13.410 35.078 -7.707 532 HD2 LYS 66 2HD LYS 66 -13.307 37.200 -7.007 533 HD3 LYS 66 3HD LYS 66 -14.104 36.819 -5.478 534 HE2 LYS 66 2HE LYS 66 -12.155 36.617 -4.369 535 HE3 LYS 66 3HE LYS 66 -11.349 35.828 -5.724 536 HZ1 LYS 66 3HZ LYS 66 -11.656 38.325 -6.648 537 HZ2 LYS 66 1HZ LYS 66 -10.262 37.763 -5.872 538 HZ3 LYS 66 2HZ LYS 66 -11.427 38.624 -4.999 539 H LYS 67 H LYS 67 -14.879 36.899 -8.723 540 HA LYS 67 HA LYS 67 -15.802 39.132 -7.118 541 HB2 LYS 67 2HB LYS 67 -13.463 38.783 -8.277 542 HB3 LYS 67 3HB LYS 67 -14.283 39.468 -9.674 543 HG2 LYS 67 2HG LYS 67 -14.118 41.524 -8.862 544 HG3 LYS 67 3HG LYS 67 -14.778 41.034 -7.300 545 HD2 LYS 67 2HD LYS 67 -12.712 40.668 -6.387 546 HD3 LYS 67 3HD LYS 67 -11.977 40.267 -7.941 547 HE2 LYS 67 2HE LYS 67 -12.939 43.022 -7.759 548 HE3 LYS 67 3HE LYS 67 -11.671 42.634 -6.597 549 HZ1 LYS 67 3HZ LYS 67 -10.848 41.542 -8.986 550 HZ2 LYS 67 1HZ LYS 67 -10.234 42.931 -8.240 551 HZ3 LYS 67 2HZ LYS 67 -11.463 43.064 -9.395 Start of MODEL 11 1 H1 MET 1 H MET 1 9.578 -6.663 -10.217 2 HA MET 1 HA MET 1 8.160 -7.788 -12.070 3 HB2 MET 1 2HB MET 1 6.871 -8.912 -9.583 4 HB3 MET 1 3HB MET 1 6.432 -9.235 -11.255 5 HG2 MET 1 2HG MET 1 8.876 -10.135 -11.416 6 HG3 MET 1 3HG MET 1 8.729 -10.263 -9.665 7 HE1 MET 1 3HE MET 1 5.522 -12.469 -9.346 8 HE2 MET 1 1HE MET 1 7.055 -12.344 -8.482 9 HE3 MET 1 2HE MET 1 6.159 -10.884 -8.904 10 H HIS 2 H HIS 2 7.237 -5.935 -12.656 11 HA HIS 2 HA HIS 2 4.954 -4.917 -11.371 12 HB2 HIS 2 2HB HIS 2 7.460 -3.919 -10.359 13 HB3 HIS 2 3HB HIS 2 6.558 -2.614 -11.124 14 HD1 HIS 2 HD1 HIS 2 6.792 -4.513 -8.038 15 HD2 HIS 2 HD2 HIS 2 3.863 -2.315 -10.000 16 HE1 HIS 2 HE1 HIS 2 5.041 -4.025 -6.300 17 H HIS 3 H HIS 3 4.336 -2.706 -12.324 18 HA HIS 3 HA HIS 3 5.539 -2.173 -14.919 19 HB2 HIS 3 2HB HIS 3 3.331 -2.296 -16.066 20 HB3 HIS 3 3HB HIS 3 3.908 -3.860 -15.498 21 HD1 HIS 3 HD1 HIS 3 2.808 -4.615 -13.101 22 HD2 HIS 3 HD2 HIS 3 0.798 -1.717 -15.296 23 HE1 HIS 3 HE1 HIS 3 0.466 -4.583 -12.186 24 H HIS 4 H HIS 4 4.057 -0.360 -16.016 25 HA HIS 4 HA HIS 4 2.861 1.465 -14.136 26 HB2 HIS 4 2HB HIS 4 5.643 1.676 -14.649 27 HB3 HIS 4 3HB HIS 4 4.859 3.019 -15.476 28 HD1 HIS 4 HD1 HIS 4 3.910 4.890 -14.042 29 HD2 HIS 4 HD2 HIS 4 5.352 1.689 -11.819 30 HE1 HIS 4 HE1 HIS 4 3.941 5.687 -11.657 31 H HIS 5 H HIS 5 2.691 3.741 -15.464 32 HA HIS 5 HA HIS 5 1.854 3.080 -18.203 33 HB2 HIS 5 2HB HIS 5 0.237 4.815 -16.331 34 HB3 HIS 5 3HB HIS 5 -0.216 4.277 -17.946 35 HD1 HIS 5 HD1 HIS 5 -1.143 3.626 -14.675 36 HD2 HIS 5 HD2 HIS 5 -0.056 1.148 -17.828 37 HE1 HIS 5 HE1 HIS 5 -2.104 1.370 -14.118 38 H HIS 6 H HIS 6 2.127 4.680 -19.719 39 HA HIS 6 HA HIS 6 3.906 6.839 -18.952 40 HB2 HIS 6 2HB HIS 6 4.132 5.339 -21.042 41 HB3 HIS 6 3HB HIS 6 2.863 6.347 -21.732 42 HD1 HIS 6 HD1 HIS 6 3.467 8.929 -22.011 43 HD2 HIS 6 HD2 HIS 6 6.652 6.414 -21.123 44 HE1 HIS 6 HE1 HIS 6 5.537 10.244 -22.566 45 H HIS 7 H HIS 7 2.421 8.109 -17.731 46 HA HIS 7 HA HIS 7 0.532 9.625 -19.411 47 HB2 HIS 7 2HB HIS 7 0.262 8.878 -16.493 48 HB3 HIS 7 3HB HIS 7 -0.815 9.983 -17.341 49 HD1 HIS 7 HD1 HIS 7 -1.412 7.044 -16.039 50 HD2 HIS 7 HD2 HIS 7 -1.196 8.084 -20.056 51 HE1 HIS 7 HE1 HIS 7 -2.750 5.298 -17.258 52 H GLU 8 H GLU 8 0.202 11.860 -18.792 53 HA GLU 8 HA GLU 8 2.563 13.002 -17.446 54 HB2 GLU 8 2HB GLU 8 2.184 15.013 -18.890 55 HB3 GLU 8 3HB GLU 8 2.655 13.566 -19.771 56 HG2 GLU 8 2HG GLU 8 0.610 13.330 -20.762 57 HG3 GLU 8 3HG GLU 8 -0.240 14.161 -19.461 58 H VAL 9 H VAL 9 0.912 12.496 -15.607 59 HA VAL 9 HA VAL 9 -0.689 14.933 -15.169 60 HB VAL 9 HB VAL 9 -1.748 12.981 -13.481 61 HG11 VAL 9 1HG1 VAL 9 -3.432 14.240 -14.231 62 HG12 VAL 9 2HG1 VAL 9 -2.580 14.634 -15.726 63 HG13 VAL 9 3HG1 VAL 9 -3.498 13.133 -15.603 64 HG21 VAL 9 3HG2 VAL 9 -0.601 11.268 -14.824 65 HG22 VAL 9 1HG2 VAL 9 -2.357 11.144 -14.946 66 HG23 VAL 9 2HG2 VAL 9 -1.429 11.859 -16.264 67 HA PRO 10 HA PRO 10 1.626 15.605 -11.497 68 HB2 PRO 10 2HB PRO 10 -0.229 16.847 -9.952 69 HB3 PRO 10 3HB PRO 10 0.543 17.626 -11.338 70 HG2 PRO 10 2HG PRO 10 -2.144 16.320 -11.154 71 HG3 PRO 10 3HG PRO 10 -1.691 17.841 -11.945 72 HD2 PRO 10 2HD PRO 10 -2.045 15.533 -13.317 73 HD3 PRO 10 3HD PRO 10 -0.873 16.770 -13.815 74 H GLN 11 H GLN 11 -0.929 13.438 -11.637 75 HA GLN 11 HA GLN 11 -0.037 12.062 -9.281 76 HB2 GLN 11 2HB GLN 11 -2.529 13.658 -9.254 77 HB3 GLN 11 3HB GLN 11 -2.648 12.034 -8.590 78 HG2 GLN 11 2HG GLN 11 -1.659 12.658 -6.713 79 HG3 GLN 11 3HG GLN 11 -0.298 13.349 -7.595 80 HE21 GLN 11 1HE2 GLN 11 -0.628 15.528 -8.489 81 HE22 GLN 11 2HE2 GLN 11 -1.581 16.649 -7.584 82 H THR 12 H THR 12 -3.211 12.082 -10.873 83 HA THR 12 HA THR 12 -2.559 9.543 -12.180 84 HB THR 12 HB THR 12 -5.019 9.959 -10.471 85 HG1 THR 12 HG1 THR 12 -4.070 8.332 -9.186 86 HG21 THR 12 3HG2 THR 12 -5.579 8.631 -12.402 87 HG22 THR 12 1HG2 THR 12 -5.459 7.566 -11.002 88 HG23 THR 12 2HG2 THR 12 -4.147 7.627 -12.179 89 H PHE 13 H PHE 13 -4.796 12.249 -11.823 90 HA PHE 13 HA PHE 13 -5.133 12.427 -14.666 91 HB2 PHE 13 2HB PHE 13 -7.459 11.978 -14.828 92 HB3 PHE 13 3HB PHE 13 -6.769 10.623 -13.939 93 HD1 PHE 13 HD1 PHE 13 -8.900 13.584 -13.737 94 HD2 PHE 13 HD2 PHE 13 -7.254 10.293 -11.597 95 HE1 PHE 13 HE1 PHE 13 -10.508 13.969 -11.915 96 HE2 PHE 13 HE2 PHE 13 -8.860 10.672 -9.773 97 HZ PHE 13 HZ PHE 13 -10.491 12.511 -9.930 98 H GLU 14 H GLU 14 -5.602 14.471 -15.269 99 HA GLU 14 HA GLU 14 -6.392 16.352 -13.141 100 HB2 GLU 14 2HB GLU 14 -5.077 18.069 -14.301 101 HB3 GLU 14 3HB GLU 14 -4.075 16.707 -13.818 102 HG2 GLU 14 2HG GLU 14 -3.296 16.853 -15.909 103 HG3 GLU 14 3HG GLU 14 -4.755 15.949 -16.315 104 H VAL 15 H VAL 15 -7.864 17.967 -13.639 105 HA VAL 15 HA VAL 15 -9.497 17.434 -16.006 106 HB VAL 15 HB VAL 15 -10.142 19.278 -13.706 107 HG11 VAL 15 1HG1 VAL 15 -12.494 18.334 -14.703 108 HG12 VAL 15 2HG1 VAL 15 -11.754 19.872 -15.150 109 HG13 VAL 15 3HG1 VAL 15 -11.509 18.448 -16.161 110 HG21 VAL 15 3HG2 VAL 15 -10.485 16.326 -14.012 111 HG22 VAL 15 1HG2 VAL 15 -9.991 17.260 -12.600 112 HG23 VAL 15 2HG2 VAL 15 -11.680 17.256 -13.108 113 H GLU 16 H GLU 16 -10.170 19.091 -17.419 114 HA GLU 16 HA GLU 16 -8.164 20.959 -18.101 115 HB2 GLU 16 2HB GLU 16 -10.462 19.913 -19.309 116 HB3 GLU 16 3HB GLU 16 -10.755 21.643 -19.197 117 HG2 GLU 16 2HG GLU 16 -8.312 20.388 -20.425 118 HG3 GLU 16 3HG GLU 16 -9.714 20.970 -21.322 119 H ARG 17 H ARG 17 -11.548 21.718 -17.275 120 HA ARG 17 HA ARG 17 -10.921 23.550 -15.223 121 HB2 ARG 17 2HB ARG 17 -10.928 25.611 -16.227 122 HB3 ARG 17 3HB ARG 17 -10.171 24.667 -17.503 123 HG2 ARG 17 2HG ARG 17 -13.089 25.400 -17.358 124 HG3 ARG 17 3HG ARG 17 -11.875 26.176 -18.378 125 HD2 ARG 17 2HD ARG 17 -12.459 23.231 -18.519 126 HD3 ARG 17 3HD ARG 17 -13.350 24.416 -19.473 127 HE ARG 17 HE ARG 17 -10.743 23.425 -20.002 128 HH11 ARG 17 1HH1 ARG 17 -12.709 26.291 -20.210 129 HH12 ARG 17 2HH1 ARG 17 -11.820 26.962 -21.536 130 HH21 ARG 17 1HH2 ARG 17 -9.564 24.299 -21.748 131 HH22 ARG 17 2HH2 ARG 17 -10.032 25.828 -22.411 132 H ILE 18 H ILE 18 -12.845 24.849 -14.570 133 HA ILE 18 HA ILE 18 -15.172 23.208 -14.614 134 HB ILE 18 HB ILE 18 -14.926 26.050 -13.622 135 HG12 ILE 18 2HG1 ILE 18 -13.320 24.250 -12.676 136 HG13 ILE 18 3HG1 ILE 18 -14.233 25.238 -11.541 137 HG21 ILE 18 1HG2 ILE 18 -16.766 24.951 -12.040 138 HG22 ILE 18 2HG2 ILE 18 -17.173 25.736 -13.565 139 HG23 ILE 18 3HG2 ILE 18 -17.038 23.979 -13.486 140 HD11 ILE 18 3HD1 ILE 18 -15.653 23.494 -10.978 141 HD12 ILE 18 1HD1 ILE 18 -15.261 22.576 -12.432 142 HD13 ILE 18 2HD1 ILE 18 -14.079 22.715 -11.130 143 H VAL 19 H VAL 19 -16.476 23.064 -16.312 144 HA VAL 19 HA VAL 19 -16.617 24.883 -18.434 145 HB VAL 19 HB VAL 19 -18.840 23.007 -17.639 146 HG11 VAL 19 1HG1 VAL 19 -18.056 23.456 -20.452 147 HG12 VAL 19 2HG1 VAL 19 -19.656 23.255 -19.736 148 HG13 VAL 19 3HG1 VAL 19 -18.826 24.808 -19.624 149 HG21 VAL 19 3HG2 VAL 19 -17.258 21.738 -19.546 150 HG22 VAL 19 1HG2 VAL 19 -16.115 22.400 -18.378 151 HG23 VAL 19 2HG2 VAL 19 -17.401 21.319 -17.839 152 H ARG 20 H ARG 20 -18.980 24.325 -15.819 153 HA ARG 20 HA ARG 20 -19.572 27.119 -15.616 154 HB2 ARG 20 2HB ARG 20 -21.959 26.938 -16.234 155 HB3 ARG 20 3HB ARG 20 -20.887 26.655 -17.598 156 HG2 ARG 20 2HG ARG 20 -21.627 24.224 -16.160 157 HG3 ARG 20 3HG ARG 20 -22.992 25.078 -16.883 158 HD2 ARG 20 2HD ARG 20 -21.089 25.156 -18.867 159 HD3 ARG 20 3HD ARG 20 -20.842 23.566 -18.146 160 HE ARG 20 HE ARG 20 -23.492 23.593 -18.478 161 HH11 ARG 20 1HH1 ARG 20 -20.899 24.464 -20.633 162 HH12 ARG 20 2HH1 ARG 20 -21.768 24.023 -22.066 163 HH21 ARG 20 1HH2 ARG 20 -24.645 23.010 -20.357 164 HH22 ARG 20 2HH2 ARG 20 -23.899 23.197 -21.908 165 H LYS 21 H LYS 21 -21.902 27.168 -14.311 166 HA LYS 21 HA LYS 21 -22.007 25.043 -12.340 167 HB2 LYS 21 2HB LYS 21 -21.576 26.422 -10.431 168 HB3 LYS 21 3HB LYS 21 -20.228 26.619 -11.544 169 HG2 LYS 21 2HG LYS 21 -20.934 28.763 -12.190 170 HG3 LYS 21 3HG LYS 21 -22.533 28.539 -11.478 171 HD2 LYS 21 2HD LYS 21 -20.906 28.155 -9.323 172 HD3 LYS 21 3HD LYS 21 -20.012 29.374 -10.234 173 HE2 LYS 21 2HE LYS 21 -22.324 30.554 -10.402 174 HE3 LYS 21 3HE LYS 21 -22.747 29.529 -9.031 175 HZ1 LYS 21 3HZ LYS 21 -21.227 30.568 -7.674 176 HZ2 LYS 21 1HZ LYS 21 -21.762 31.865 -8.619 177 HZ3 LYS 21 2HZ LYS 21 -20.277 31.128 -8.956 178 H LYS 22 H LYS 22 -23.855 25.225 -10.911 179 HA LYS 22 HA LYS 22 -25.792 27.270 -11.183 180 HB2 LYS 22 2HB LYS 22 -27.469 26.217 -12.489 181 HB3 LYS 22 3HB LYS 22 -25.980 26.091 -13.415 182 HG2 LYS 22 2HG LYS 22 -26.398 23.924 -13.607 183 HG3 LYS 22 3HG LYS 22 -26.042 23.775 -11.885 184 HD2 LYS 22 2HD LYS 22 -28.134 23.030 -11.653 185 HD3 LYS 22 3HD LYS 22 -28.649 24.694 -11.938 186 HE2 LYS 22 2HE LYS 22 -28.441 24.005 -14.455 187 HE3 LYS 22 3HE LYS 22 -28.595 22.371 -13.812 188 HZ1 LYS 22 3HZ LYS 22 -30.725 23.452 -14.485 189 HZ2 LYS 22 1HZ LYS 22 -30.522 24.542 -13.207 190 HZ3 LYS 22 2HZ LYS 22 -30.697 22.890 -12.890 191 H ILE 23 H ILE 23 -27.466 27.056 -9.704 192 HA ILE 23 HA ILE 23 -27.227 24.745 -7.895 193 HB ILE 23 HB ILE 23 -27.787 26.081 -6.075 194 HG12 ILE 23 2HG1 ILE 23 -28.471 28.610 -6.730 195 HG13 ILE 23 3HG1 ILE 23 -29.128 27.755 -8.121 196 HG21 ILE 23 1HG2 ILE 23 -26.050 27.549 -5.975 197 HG22 ILE 23 2HG2 ILE 23 -25.600 26.688 -7.446 198 HG23 ILE 23 3HG2 ILE 23 -26.407 28.252 -7.553 199 HD11 ILE 23 3HD1 ILE 23 -30.269 28.070 -5.577 200 HD12 ILE 23 1HD1 ILE 23 -30.887 27.138 -6.940 201 HD13 ILE 23 2HD1 ILE 23 -29.852 26.365 -5.739 202 H VAL 24 H VAL 24 -29.116 23.815 -7.027 203 HA VAL 24 HA VAL 24 -31.654 24.590 -8.279 204 HB VAL 24 HB VAL 24 -31.271 21.684 -7.984 205 HG11 VAL 24 1HG1 VAL 24 -33.145 23.266 -9.104 206 HG12 VAL 24 2HG1 VAL 24 -32.158 22.894 -10.519 207 HG13 VAL 24 3HG1 VAL 24 -32.870 21.588 -9.571 208 HG21 VAL 24 3HG2 VAL 24 -29.083 22.207 -8.844 209 HG22 VAL 24 1HG2 VAL 24 -30.053 21.505 -10.139 210 HG23 VAL 24 2HG2 VAL 24 -29.777 23.246 -10.088 211 H HIS 25 H HIS 25 -33.212 24.790 -6.817 212 HA HIS 25 HA HIS 25 -34.348 24.706 -4.846 213 HB2 HIS 25 2HB HIS 25 -34.228 22.186 -5.740 214 HB3 HIS 25 3HB HIS 25 -33.339 21.975 -4.235 215 HD1 HIS 25 HD1 HIS 25 -35.848 20.472 -4.283 216 HD2 HIS 25 HD2 HIS 25 -35.768 24.479 -3.189 217 HE1 HIS 25 HE1 HIS 25 -37.934 20.841 -2.927 218 H GLY 26 H GLY 26 -31.463 25.495 -4.867 219 HA2 GLY 26 2HA GLY 26 -30.288 26.499 -3.086 220 HA3 GLY 26 3HA GLY 26 -31.116 25.428 -1.966 221 H ASN 27 H ASN 27 -29.865 23.876 -4.726 222 HA ASN 27 HA ASN 27 -27.559 22.927 -3.155 223 HB2 ASN 27 2HB ASN 27 -29.252 21.439 -5.172 224 HB3 ASN 27 3HB ASN 27 -27.769 20.806 -4.465 225 HD21 ASN 27 1HD2 ASN 27 -30.715 20.078 -4.337 226 HD22 ASN 27 2HD2 ASN 27 -31.016 19.877 -2.648 227 H THR 28 H THR 28 -25.819 23.958 -3.917 228 HA THR 28 HA THR 28 -25.542 24.899 -6.575 229 HB THR 28 HB THR 28 -23.162 24.385 -4.828 230 HG1 THR 28 HG1 THR 28 -23.745 26.494 -3.853 231 HG21 THR 28 3HG2 THR 28 -22.292 26.338 -5.839 232 HG22 THR 28 1HG2 THR 28 -23.875 26.822 -6.446 233 HG23 THR 28 2HG2 THR 28 -23.052 25.427 -7.144 234 H SER 29 H SER 29 -24.348 24.121 -8.293 235 HA SER 29 HA SER 29 -23.076 21.504 -8.039 236 HB2 SER 29 2HB SER 29 -25.214 22.098 -10.100 237 HB3 SER 29 3HB SER 29 -24.265 20.616 -9.997 238 HG SER 29 HG SER 29 -25.796 19.963 -8.722 239 H TYR 30 H TYR 30 -21.195 21.468 -9.077 240 HA TYR 30 HA TYR 30 -20.651 23.586 -11.039 241 HB2 TYR 30 2HB TYR 30 -18.914 22.048 -9.137 242 HB3 TYR 30 3HB TYR 30 -18.207 22.799 -10.563 243 HD1 TYR 30 HD2 TYR 30 -20.793 23.894 -8.090 244 HD2 TYR 30 HD1 TYR 30 -17.079 24.724 -9.993 245 HE1 TYR 30 HE2 TYR 30 -20.665 26.038 -6.892 246 HE2 TYR 30 HE1 TYR 30 -16.940 26.870 -8.799 247 HH TYR 30 HH TYR 30 -19.591 28.186 -7.070 248 H LEU 31 H LEU 31 -20.719 23.002 -13.095 249 HA LEU 31 HA LEU 31 -20.402 20.201 -13.830 250 HB2 LEU 31 2HB LEU 31 -22.287 21.543 -14.710 251 HB3 LEU 31 3HB LEU 31 -21.126 22.571 -15.546 252 HG LEU 31 HG LEU 31 -20.531 20.838 -17.046 253 HD11 LEU 31 1HD1 LEU 31 -21.958 18.600 -16.643 254 HD12 LEU 31 2HD1 LEU 31 -21.705 19.100 -14.972 255 HD13 LEU 31 3HD1 LEU 31 -20.321 18.834 -16.031 256 HD21 LEU 31 3HD2 LEU 31 -23.382 21.400 -16.596 257 HD22 LEU 31 1HD2 LEU 31 -23.039 19.995 -17.606 258 HD23 LEU 31 2HD2 LEU 31 -22.402 21.578 -18.052 259 H VAL 32 H VAL 32 -18.361 19.552 -14.083 260 HA VAL 32 HA VAL 32 -16.493 21.331 -15.507 261 HB VAL 32 HB VAL 32 -15.853 20.708 -13.172 262 HG11 VAL 32 1HG1 VAL 32 -15.024 18.422 -12.776 263 HG12 VAL 32 2HG1 VAL 32 -16.758 18.460 -13.104 264 HG13 VAL 32 3HG1 VAL 32 -15.633 17.944 -14.361 265 HG21 VAL 32 3HG2 VAL 32 -14.164 21.379 -14.784 266 HG22 VAL 32 1HG2 VAL 32 -13.534 20.110 -13.732 267 HG23 VAL 32 2HG2 VAL 32 -14.042 19.722 -15.376 268 H LYS 33 H LYS 33 -15.153 20.465 -17.118 269 HA LYS 33 HA LYS 33 -16.259 18.083 -18.409 270 HB2 LYS 33 2HB LYS 33 -15.044 18.844 -20.405 271 HB3 LYS 33 3HB LYS 33 -16.112 20.094 -19.780 272 HG2 LYS 33 2HG LYS 33 -13.989 20.930 -18.544 273 HG3 LYS 33 3HG LYS 33 -13.130 19.962 -19.744 274 HD2 LYS 33 2HD LYS 33 -14.993 21.363 -21.235 275 HD3 LYS 33 3HD LYS 33 -14.459 22.532 -20.026 276 HE2 LYS 33 2HE LYS 33 -12.102 21.960 -20.640 277 HE3 LYS 33 3HE LYS 33 -12.742 20.984 -21.961 278 HZ1 LYS 33 3HZ LYS 33 -12.047 23.384 -22.446 279 HZ2 LYS 33 1HZ LYS 33 -13.492 23.824 -21.684 280 HZ3 LYS 33 2HZ LYS 33 -13.527 22.847 -23.064 281 H TRP 34 H TRP 34 -14.161 17.253 -19.948 282 HA TRP 34 HA TRP 34 -12.025 16.568 -18.052 283 HB2 TRP 34 2HB TRP 34 -13.161 14.497 -19.914 284 HB3 TRP 34 3HB TRP 34 -12.158 14.263 -18.485 285 HD1 TRP 34 HD1 TRP 34 -13.684 15.572 -16.211 286 HE1 TRP 34 HE1 TRP 34 -16.032 14.798 -15.495 287 HE3 TRP 34 HE3 TRP 34 -15.124 13.248 -20.531 288 HZ2 TRP 34 HZ2 TRP 34 -18.206 13.388 -16.614 289 HZ3 TRP 34 HZ3 TRP 34 -17.353 12.211 -20.626 290 HH2 TRP 34 HH2 TRP 34 -18.861 12.280 -18.706 291 H LYS 35 H LYS 35 -10.460 17.766 -19.033 292 HA LYS 35 HA LYS 35 -9.066 18.558 -20.678 293 HB2 LYS 35 2HB LYS 35 -7.771 16.801 -21.737 294 HB3 LYS 35 3HB LYS 35 -8.104 16.365 -20.066 295 HG2 LYS 35 2HG LYS 35 -9.642 14.724 -20.674 296 HG3 LYS 35 3HG LYS 35 -9.841 15.382 -22.300 297 HD2 LYS 35 2HD LYS 35 -7.332 14.817 -22.578 298 HD3 LYS 35 3HD LYS 35 -7.573 13.779 -21.171 299 HE2 LYS 35 2HE LYS 35 -8.518 12.213 -22.431 300 HE3 LYS 35 3HE LYS 35 -9.694 13.369 -23.055 301 HZ1 LYS 35 3HZ LYS 35 -7.204 12.434 -24.238 302 HZ2 LYS 35 1HZ LYS 35 -7.575 14.068 -24.469 303 HZ3 LYS 35 2HZ LYS 35 -8.658 12.875 -24.981 304 H ASN 36 H ASN 36 -11.754 18.835 -21.443 305 HA ASN 36 HA ASN 36 -13.040 19.302 -23.259 306 HB2 ASN 36 2HB ASN 36 -10.267 19.361 -24.373 307 HB3 ASN 36 3HB ASN 36 -11.624 19.429 -25.493 308 HD21 ASN 36 1HD2 ASN 36 -9.713 21.133 -23.255 309 HD22 ASN 36 2HD2 ASN 36 -10.545 22.645 -23.339 310 H TYR 37 H TYR 37 -13.284 16.753 -22.492 311 HA TYR 37 HA TYR 37 -12.989 15.072 -24.871 312 HB2 TYR 37 2HB TYR 37 -12.179 14.018 -22.885 313 HB3 TYR 37 3HB TYR 37 -13.638 14.432 -21.993 314 HD1 TYR 37 HD1 TYR 37 -15.762 13.244 -22.479 315 HD2 TYR 37 HD2 TYR 37 -12.082 12.074 -24.266 316 HE1 TYR 37 HE1 TYR 37 -16.751 11.074 -23.081 317 HE2 TYR 37 HE2 TYR 37 -13.061 9.902 -24.873 318 HH TYR 37 HH TYR 37 -14.900 8.439 -24.129 319 H SER 38 H SER 38 -15.425 16.362 -22.674 320 HA SER 38 HA SER 38 -17.452 15.987 -24.722 321 HB2 SER 38 2HB SER 38 -17.583 14.674 -22.008 322 HB3 SER 38 3HB SER 38 -19.026 14.992 -22.970 323 HG SER 38 HG SER 38 -18.188 13.674 -24.590 324 H SER 39 H SER 39 -16.678 18.376 -24.326 325 HA SER 39 HA SER 39 -17.448 19.867 -22.134 326 HB2 SER 39 2HB SER 39 -17.779 21.742 -23.913 327 HB3 SER 39 3HB SER 39 -16.178 21.034 -23.710 328 HG SER 39 HG SER 39 -18.087 20.296 -25.678 329 H LYS 40 H LYS 40 -19.420 18.309 -24.460 330 HA LYS 40 HA LYS 40 -21.751 19.956 -23.997 331 HB2 LYS 40 2HB LYS 40 -22.888 18.146 -25.369 332 HB3 LYS 40 3HB LYS 40 -21.612 19.047 -26.177 333 HG2 LYS 40 2HG LYS 40 -20.781 16.571 -24.810 334 HG3 LYS 40 3HG LYS 40 -21.812 16.375 -26.230 335 HD2 LYS 40 2HD LYS 40 -19.539 18.263 -26.459 336 HD3 LYS 40 3HD LYS 40 -19.150 16.543 -26.387 337 HE2 LYS 40 2HE LYS 40 -20.991 16.313 -28.200 338 HE3 LYS 40 3HE LYS 40 -20.744 18.043 -28.430 339 HZ1 LYS 40 3HZ LYS 40 -19.361 16.843 -29.949 340 HZ2 LYS 40 1HZ LYS 40 -18.699 15.909 -28.703 341 HZ3 LYS 40 2HZ LYS 40 -18.365 17.564 -28.787 342 H ASP 41 H ASP 41 -20.476 16.870 -22.916 343 HA ASP 41 HA ASP 41 -22.889 16.282 -21.399 344 HB2 ASP 41 2HB ASP 41 -21.615 14.491 -22.608 345 HB3 ASP 41 3HB ASP 41 -20.291 14.738 -21.472 346 H ASN 42 H ASN 42 -19.456 16.126 -20.467 347 HA ASN 42 HA ASN 42 -18.375 16.706 -18.552 348 HB2 ASN 42 2HB ASN 42 -20.509 18.847 -18.398 349 HB3 ASN 42 3HB ASN 42 -18.978 18.849 -17.528 350 HD21 ASN 42 1HD2 ASN 42 -20.023 20.795 -19.403 351 HD22 ASN 42 2HD2 ASN 42 -18.871 20.902 -20.686 352 H THR 43 H THR 43 -18.688 17.063 -16.120 353 HA THR 43 HA THR 43 -20.981 15.449 -15.209 354 HB THR 43 HB THR 43 -19.059 15.229 -13.220 355 HG1 THR 43 HG1 THR 43 -17.876 15.325 -15.783 356 HG21 THR 43 3HG2 THR 43 -19.871 13.406 -15.473 357 HG22 THR 43 1HG2 THR 43 -20.429 13.392 -13.801 358 HG23 THR 43 2HG2 THR 43 -18.782 12.892 -14.185 359 H TRP 44 H TRP 44 -22.181 16.194 -13.542 360 HA TRP 44 HA TRP 44 -21.579 18.886 -12.584 361 HB2 TRP 44 2HB TRP 44 -24.081 17.326 -11.973 362 HB3 TRP 44 3HB TRP 44 -23.856 19.073 -12.001 363 HD1 TRP 44 HD1 TRP 44 -24.028 20.299 -14.345 364 HE1 TRP 44 HE1 TRP 44 -24.904 19.547 -16.646 365 HE3 TRP 44 HE3 TRP 44 -24.229 15.256 -13.528 366 HZ2 TRP 44 HZ2 TRP 44 -25.590 17.135 -17.942 367 HZ3 TRP 44 HZ3 TRP 44 -25.007 13.797 -15.350 368 HH2 TRP 44 HH2 TRP 44 -25.673 14.719 -17.510 369 H GLU 45 H GLU 45 -20.270 18.917 -10.864 370 HA GLU 45 HA GLU 45 -20.778 16.992 -8.694 371 HB2 GLU 45 2HB GLU 45 -18.266 18.393 -9.581 372 HB3 GLU 45 3HB GLU 45 -18.406 17.684 -7.978 373 HG2 GLU 45 2HG GLU 45 -19.226 15.836 -10.048 374 HG3 GLU 45 3HG GLU 45 -17.577 16.412 -10.286 375 H THR 46 H THR 46 -21.566 17.749 -6.847 376 HA THR 46 HA THR 46 -22.533 20.238 -6.382 377 HB THR 46 HB THR 46 -21.834 19.615 -3.841 378 HG1 THR 46 HG1 THR 46 -22.110 17.160 -3.978 379 HG21 THR 46 3HG2 THR 46 -23.966 18.353 -3.733 380 HG22 THR 46 1HG2 THR 46 -24.022 18.350 -5.495 381 HG23 THR 46 2HG2 THR 46 -24.112 19.874 -4.612 382 H GLU 47 H GLU 47 -21.853 22.085 -5.212 383 HA GLU 47 HA GLU 47 -19.302 23.032 -5.846 384 HB2 GLU 47 2HB GLU 47 -20.928 24.675 -5.463 385 HB3 GLU 47 3HB GLU 47 -21.426 23.958 -3.937 386 HG2 GLU 47 2HG GLU 47 -19.360 24.672 -2.894 387 HG3 GLU 47 3HG GLU 47 -18.792 25.329 -4.428 388 H ASP 48 H ASP 48 -20.391 21.105 -3.212 389 HA ASP 48 HA ASP 48 -17.979 21.637 -1.646 390 HB2 ASP 48 2HB ASP 48 -20.452 21.352 -0.746 391 HB3 ASP 48 3HB ASP 48 -20.035 19.642 -0.800 392 H ASP 49 H ASP 49 -18.802 19.719 -4.162 393 HA ASP 49 HA ASP 49 -16.971 17.574 -3.302 394 HB2 ASP 49 2HB ASP 49 -19.369 17.395 -5.135 395 HB3 ASP 49 3HB ASP 49 -18.197 16.099 -4.914 396 H ILE 50 H ILE 50 -17.390 20.167 -5.341 397 HA ILE 50 HA ILE 50 -15.750 19.045 -7.492 398 HB ILE 50 HB ILE 50 -17.746 20.328 -8.145 399 HG12 ILE 50 2HG1 ILE 50 -16.087 22.237 -9.314 400 HG13 ILE 50 3HG1 ILE 50 -15.016 20.879 -8.986 401 HG21 ILE 50 1HG2 ILE 50 -17.140 21.977 -6.075 402 HG22 ILE 50 2HG2 ILE 50 -16.587 22.931 -7.450 403 HG23 ILE 50 3HG2 ILE 50 -18.259 22.375 -7.378 404 HD11 ILE 50 3HD1 ILE 50 -15.866 20.623 -11.184 405 HD12 ILE 50 1HD1 ILE 50 -16.654 19.414 -10.171 406 HD13 ILE 50 2HD1 ILE 50 -17.524 20.876 -10.639 407 H ARG 51 H ARG 51 -15.706 21.488 -4.966 408 HA ARG 51 HA ARG 51 -13.166 22.574 -5.771 409 HB2 ARG 51 2HB ARG 51 -13.621 24.220 -4.307 410 HB3 ARG 51 3HB ARG 51 -15.227 23.507 -4.234 411 HG2 ARG 51 2HG ARG 51 -12.982 22.763 -2.376 412 HG3 ARG 51 3HG ARG 51 -14.192 23.997 -2.020 413 HD2 ARG 51 2HD ARG 51 -15.658 21.776 -2.837 414 HD3 ARG 51 3HD ARG 51 -14.374 21.118 -1.823 415 HE ARG 51 HE ARG 51 -16.578 22.781 -0.984 416 HH11 ARG 51 1HH1 ARG 51 -13.406 21.569 -0.217 417 HH12 ARG 51 2HH1 ARG 51 -13.580 21.820 1.488 418 HH21 ARG 51 1HH2 ARG 51 -16.819 23.116 1.260 419 HH22 ARG 51 2HH2 ARG 51 -15.522 22.699 2.327 420 H THR 52 H THR 52 -14.209 19.891 -3.954 421 HA THR 52 HA THR 52 -11.789 19.707 -2.357 422 HB THR 52 HB THR 52 -13.916 18.990 -1.363 423 HG1 THR 52 HG1 THR 52 -13.091 17.100 -0.496 424 HG21 THR 52 3HG2 THR 52 -14.606 18.006 -3.746 425 HG22 THR 52 1HG2 THR 52 -15.309 17.414 -2.242 426 HG23 THR 52 2HG2 THR 52 -13.995 16.524 -3.012 427 H LYS 53 H LYS 53 -13.166 18.323 -5.256 428 HA LYS 53 HA LYS 53 -10.887 16.488 -5.502 429 HB2 LYS 53 2HB LYS 53 -13.308 16.573 -7.295 430 HB3 LYS 53 3HB LYS 53 -12.158 15.259 -7.086 431 HG2 LYS 53 2HG LYS 53 -14.188 16.213 -5.079 432 HG3 LYS 53 3HG LYS 53 -14.225 14.704 -5.994 433 HD2 LYS 53 2HD LYS 53 -12.079 15.468 -4.016 434 HD3 LYS 53 3HD LYS 53 -13.448 14.414 -3.659 435 HE2 LYS 53 2HE LYS 53 -12.594 13.077 -5.728 436 HE3 LYS 53 3HE LYS 53 -11.081 13.925 -5.417 437 HZ1 LYS 53 3HZ LYS 53 -10.638 12.450 -3.848 438 HZ2 LYS 53 1HZ LYS 53 -12.118 11.671 -4.106 439 HZ3 LYS 53 2HZ LYS 53 -12.011 12.932 -2.984 440 H TYR 54 H TYR 54 -12.444 19.241 -6.993 441 HA TYR 54 HA TYR 54 -10.178 19.433 -8.864 442 HB2 TYR 54 2HB TYR 54 -12.917 20.489 -9.523 443 HB3 TYR 54 3HB TYR 54 -11.572 20.166 -10.613 444 HD1 TYR 54 HD2 TYR 54 -10.812 17.624 -10.677 445 HD2 TYR 54 HD1 TYR 54 -14.660 18.976 -9.463 446 HE1 TYR 54 HE2 TYR 54 -11.743 15.403 -11.174 447 HE2 TYR 54 HE1 TYR 54 -15.601 16.757 -9.956 448 HH TYR 54 HH TYR 54 -13.536 14.074 -10.990 449 H GLY 55 H GLY 55 -10.502 20.591 -6.209 450 HA2 GLY 55 2HA GLY 55 -11.326 23.227 -6.145 451 HA3 GLY 55 3HA GLY 55 -10.000 22.586 -5.186 452 H ASP 56 H ASP 56 -8.622 21.887 -7.813 453 HA ASP 56 HA ASP 56 -6.934 24.116 -7.943 454 HB2 ASP 56 2HB ASP 56 -6.986 21.537 -9.039 455 HB3 ASP 56 3HB ASP 56 -6.931 22.625 -10.423 456 H LEU 57 H LEU 57 -9.404 23.036 -10.276 457 HA LEU 57 HA LEU 57 -9.208 25.515 -11.748 458 HB2 LEU 57 2HB LEU 57 -11.330 24.376 -12.856 459 HB3 LEU 57 3HB LEU 57 -9.683 23.885 -13.245 460 HG LEU 57 HG LEU 57 -11.038 22.435 -11.042 461 HD11 LEU 57 1HD1 LEU 57 -12.317 22.768 -13.544 462 HD12 LEU 57 2HD1 LEU 57 -12.768 21.702 -12.214 463 HD13 LEU 57 3HD1 LEU 57 -11.684 21.123 -13.479 464 HD21 LEU 57 3HD2 LEU 57 -9.399 21.452 -13.371 465 HD22 LEU 57 1HD2 LEU 57 -9.772 20.597 -11.874 466 HD23 LEU 57 2HD2 LEU 57 -8.704 22.000 -11.844 467 H VAL 58 H VAL 58 -11.330 24.057 -9.380 468 HA VAL 58 HA VAL 58 -13.593 25.638 -9.628 469 HB VAL 58 HB VAL 58 -12.355 24.558 -7.092 470 HG11 VAL 58 1HG1 VAL 58 -13.864 26.006 -6.195 471 HG12 VAL 58 2HG1 VAL 58 -14.888 26.005 -7.632 472 HG13 VAL 58 3HG1 VAL 58 -14.944 24.648 -6.506 473 HG21 VAL 58 3HG2 VAL 58 -13.045 22.558 -7.766 474 HG22 VAL 58 1HG2 VAL 58 -14.691 23.167 -7.938 475 HG23 VAL 58 2HG2 VAL 58 -13.570 23.261 -9.296 476 H ASP 59 H ASP 59 -10.574 26.303 -7.912 477 HA ASP 59 HA ASP 59 -11.511 28.842 -6.917 478 HB2 ASP 59 2HB ASP 59 -8.862 27.412 -6.841 479 HB3 ASP 59 3HB ASP 59 -9.024 29.076 -6.288 480 H ASP 60 H ASP 60 -10.852 27.928 -9.918 481 HA ASP 60 HA ASP 60 -9.514 30.454 -10.635 482 HB2 ASP 60 2HB ASP 60 -9.125 27.710 -11.541 483 HB3 ASP 60 3HB ASP 60 -9.387 28.826 -12.878 484 H PHE 61 H PHE 61 -12.372 28.614 -10.867 485 HA PHE 61 HA PHE 61 -13.353 30.178 -13.145 486 HB2 PHE 61 2HB PHE 61 -13.718 27.801 -13.362 487 HB3 PHE 61 3HB PHE 61 -14.467 27.727 -11.770 488 HD1 PHE 61 HD2 PHE 61 -14.887 28.996 -15.212 489 HD2 PHE 61 HD1 PHE 61 -16.757 28.185 -11.475 490 HE1 PHE 61 HE2 PHE 61 -17.091 29.371 -16.238 491 HE2 PHE 61 HE1 PHE 61 -18.965 28.558 -12.496 492 HZ PHE 61 HZ PHE 61 -19.134 29.153 -14.880 493 H GLU 62 H GLU 62 -14.622 29.061 -10.000 494 HA GLU 62 HA GLU 62 -16.693 30.970 -9.886 495 HB2 GLU 62 2HB GLU 62 -17.116 30.190 -7.709 496 HB3 GLU 62 3HB GLU 62 -16.468 28.795 -8.562 497 HG2 GLU 62 2HG GLU 62 -15.266 28.646 -6.648 498 HG3 GLU 62 3HG GLU 62 -14.192 29.693 -7.573 499 H LYS 63 H LYS 63 -13.359 31.012 -8.806 500 HA LYS 63 HA LYS 63 -13.555 33.357 -7.213 501 HB2 LYS 63 2HB LYS 63 -11.178 32.057 -8.554 502 HB3 LYS 63 3HB LYS 63 -11.063 33.395 -7.417 503 HG2 LYS 63 2HG LYS 63 -12.245 30.698 -6.788 504 HG3 LYS 63 3HG LYS 63 -10.603 31.207 -6.388 505 HD2 LYS 63 2HD LYS 63 -13.127 32.557 -5.429 506 HD3 LYS 63 3HD LYS 63 -12.157 31.426 -4.483 507 HE2 LYS 63 2HE LYS 63 -10.228 33.125 -5.138 508 HE3 LYS 63 3HE LYS 63 -11.591 34.237 -5.263 509 HZ1 LYS 63 3HZ LYS 63 -11.296 34.489 -3.078 510 HZ2 LYS 63 1HZ LYS 63 -10.373 33.079 -2.924 511 HZ3 LYS 63 2HZ LYS 63 -12.061 32.988 -2.920 512 H ASN 64 H ASN 64 -13.700 32.882 -10.537 513 HA ASN 64 HA ASN 64 -12.653 35.546 -11.160 514 HB2 ASN 64 2HB ASN 64 -13.348 33.149 -12.842 515 HB3 ASN 64 3HB ASN 64 -13.133 34.739 -13.568 516 HD21 ASN 64 1HD2 ASN 64 -11.415 33.211 -10.884 517 HD22 ASN 64 2HD2 ASN 64 -9.855 33.258 -11.626 518 H GLN 65 H GLN 65 -15.591 33.592 -11.457 519 HA GLN 65 HA GLN 65 -17.106 35.818 -12.512 520 HB2 GLN 65 2HB GLN 65 -18.989 34.266 -12.534 521 HB3 GLN 65 3HB GLN 65 -17.574 33.536 -13.281 522 HG2 GLN 65 2HG GLN 65 -17.532 31.874 -11.810 523 HG3 GLN 65 3HG GLN 65 -17.728 32.970 -10.443 524 HE21 GLN 65 1HE2 GLN 65 -19.989 33.861 -10.208 525 HE22 GLN 65 2HE2 GLN 65 -21.288 32.744 -10.435 526 H LYS 66 H LYS 66 -16.062 34.966 -9.500 527 HA LYS 66 HA LYS 66 -18.278 35.289 -7.837 528 HB2 LYS 66 2HB LYS 66 -16.609 35.985 -6.106 529 HB3 LYS 66 3HB LYS 66 -16.213 34.480 -6.926 530 HG2 LYS 66 2HG LYS 66 -14.180 35.541 -6.893 531 HG3 LYS 66 3HG LYS 66 -14.797 36.013 -8.479 532 HD2 LYS 66 2HD LYS 66 -14.856 38.176 -7.915 533 HD3 LYS 66 3HD LYS 66 -15.632 37.832 -6.368 534 HE2 LYS 66 2HE LYS 66 -13.660 38.621 -5.574 535 HE3 LYS 66 3HE LYS 66 -13.181 36.940 -5.808 536 HZ1 LYS 66 3HZ LYS 66 -12.036 37.457 -7.745 537 HZ2 LYS 66 1HZ LYS 66 -11.671 38.760 -6.730 538 HZ3 LYS 66 2HZ LYS 66 -12.825 38.939 -7.952 539 H LYS 67 H LYS 67 -16.409 37.621 -9.604 540 HA LYS 67 HA LYS 67 -17.298 39.913 -8.135 541 HB2 LYS 67 2HB LYS 67 -15.191 39.779 -9.523 542 HB3 LYS 67 3HB LYS 67 -16.213 39.852 -10.953 543 HG2 LYS 67 2HG LYS 67 -15.992 42.058 -10.837 544 HG3 LYS 67 3HG LYS 67 -17.070 41.994 -9.440 545 HD2 LYS 67 2HD LYS 67 -14.644 41.359 -8.338 546 HD3 LYS 67 3HD LYS 67 -14.197 42.532 -9.578 547 HE2 LYS 67 2HE LYS 67 -16.129 43.945 -8.619 548 HE3 LYS 67 3HE LYS 67 -16.020 42.875 -7.222 549 HZ1 LYS 67 3HZ LYS 67 -14.046 43.743 -6.595 550 HZ2 LYS 67 1HZ LYS 67 -14.619 45.100 -7.429 551 HZ3 LYS 67 2HZ LYS 67 -13.528 44.046 -8.177 Start of MODEL 12 1 H1 MET 1 H MET 1 8.051 -0.716 -10.739 2 HA MET 1 HA MET 1 7.252 -2.296 -12.451 3 HB2 MET 1 2HB MET 1 5.255 -3.644 -11.879 4 HB3 MET 1 3HB MET 1 6.659 -4.066 -10.909 5 HG2 MET 1 2HG MET 1 5.678 -3.457 -8.997 6 HG3 MET 1 3HG MET 1 4.948 -2.021 -9.712 7 HE1 MET 1 3HE MET 1 4.208 -6.187 -10.058 8 HE2 MET 1 1HE MET 1 4.814 -5.432 -8.583 9 HE3 MET 1 2HE MET 1 3.128 -5.937 -8.686 10 H HIS 2 H HIS 2 7.079 0.310 -12.434 11 HA HIS 2 HA HIS 2 4.346 0.825 -13.281 12 HB2 HIS 2 2HB HIS 2 4.157 2.899 -11.993 13 HB3 HIS 2 3HB HIS 2 4.350 1.515 -10.922 14 HD1 HIS 2 HD1 HIS 2 6.178 4.544 -12.178 15 HD2 HIS 2 HD2 HIS 2 6.640 1.533 -9.353 16 HE1 HIS 2 HE1 HIS 2 8.120 5.256 -10.748 17 H HIS 3 H HIS 3 4.159 2.494 -14.790 18 HA HIS 3 HA HIS 3 6.152 4.342 -15.450 19 HB2 HIS 3 2HB HIS 3 6.904 3.289 -17.628 20 HB3 HIS 3 3HB HIS 3 7.558 2.559 -16.165 21 HD1 HIS 3 HD1 HIS 3 5.541 1.817 -19.157 22 HD2 HIS 3 HD2 HIS 3 6.426 0.001 -15.526 23 HE1 HIS 3 HE1 HIS 3 4.839 -0.584 -19.417 24 H HIS 4 H HIS 4 5.097 5.908 -16.465 25 HA HIS 4 HA HIS 4 3.195 5.297 -18.569 26 HB2 HIS 4 2HB HIS 4 2.355 6.872 -16.126 27 HB3 HIS 4 3HB HIS 4 1.380 6.605 -17.568 28 HD1 HIS 4 HD1 HIS 4 0.484 4.158 -17.943 29 HD2 HIS 4 HD2 HIS 4 2.332 4.818 -14.281 30 HE1 HIS 4 HE1 HIS 4 -0.167 2.205 -16.500 31 H HIS 5 H HIS 5 2.301 7.409 -19.508 32 HA HIS 5 HA HIS 5 4.065 9.696 -19.150 33 HB2 HIS 5 2HB HIS 5 4.518 9.838 -21.597 34 HB3 HIS 5 3HB HIS 5 5.265 8.440 -20.830 35 HD1 HIS 5 HD1 HIS 5 3.956 6.111 -21.214 36 HD2 HIS 5 HD2 HIS 5 2.917 9.254 -23.724 37 HE1 HIS 5 HE1 HIS 5 2.758 5.053 -23.155 38 H HIS 6 H HIS 6 1.464 9.591 -18.404 39 HA HIS 6 HA HIS 6 -0.040 10.928 -20.544 40 HB2 HIS 6 2HB HIS 6 -1.126 9.929 -17.910 41 HB3 HIS 6 3HB HIS 6 -2.041 10.399 -19.340 42 HD1 HIS 6 HD1 HIS 6 -1.022 8.793 -21.549 43 HD2 HIS 6 HD2 HIS 6 -1.201 7.248 -17.696 44 HE1 HIS 6 HE1 HIS 6 -1.025 6.293 -21.826 45 H HIS 7 H HIS 7 -1.832 12.408 -19.177 46 HA HIS 7 HA HIS 7 -0.413 14.747 -18.560 47 HB2 HIS 7 2HB HIS 7 -3.078 14.069 -19.002 48 HB3 HIS 7 3HB HIS 7 -3.056 14.674 -17.348 49 HD1 HIS 7 HD1 HIS 7 -1.432 15.849 -20.595 50 HD2 HIS 7 HD2 HIS 7 -3.624 17.305 -17.379 51 HE1 HIS 7 HE1 HIS 7 -1.699 18.313 -21.023 52 H GLU 8 H GLU 8 -1.454 15.855 -16.307 53 HA GLU 8 HA GLU 8 0.138 14.623 -14.268 54 HB2 GLU 8 2HB GLU 8 -1.611 17.069 -14.360 55 HB3 GLU 8 3HB GLU 8 -0.890 16.517 -12.855 56 HG2 GLU 8 2HG GLU 8 0.482 18.232 -13.812 57 HG3 GLU 8 3HG GLU 8 1.338 16.693 -13.890 58 H VAL 9 H VAL 9 -1.178 12.575 -14.419 59 HA VAL 9 HA VAL 9 -3.693 12.695 -12.927 60 HB VAL 9 HB VAL 9 -2.382 10.498 -14.518 61 HG11 VAL 9 1HG1 VAL 9 -3.320 9.075 -13.057 62 HG12 VAL 9 2HG1 VAL 9 -4.370 10.315 -12.369 63 HG13 VAL 9 3HG1 VAL 9 -4.827 9.503 -13.868 64 HG21 VAL 9 3HG2 VAL 9 -3.569 11.469 -16.140 65 HG22 VAL 9 1HG2 VAL 9 -5.002 10.834 -15.330 66 HG23 VAL 9 2HG2 VAL 9 -4.454 12.477 -14.995 67 HA PRO 10 HA PRO 10 -1.171 11.635 -9.343 68 HB2 PRO 10 2HB PRO 10 -3.146 12.106 -7.540 69 HB3 PRO 10 3HB PRO 10 -2.174 13.395 -8.259 70 HG2 PRO 10 2HG PRO 10 -4.919 12.456 -8.997 71 HG3 PRO 10 3HG PRO 10 -4.305 14.113 -8.854 72 HD2 PRO 10 2HD PRO 10 -4.589 12.866 -11.241 73 HD3 PRO 10 3HD PRO 10 -3.310 14.058 -10.932 74 H GLN 11 H GLN 11 -1.441 9.407 -10.425 75 HA GLN 11 HA GLN 11 -2.042 7.208 -10.329 76 HB2 GLN 11 2HB GLN 11 -2.343 7.974 -7.421 77 HB3 GLN 11 3HB GLN 11 -2.334 6.318 -8.011 78 HG2 GLN 11 2HG GLN 11 -0.095 8.307 -7.985 79 HG3 GLN 11 3HG GLN 11 -0.163 6.707 -7.247 80 HE21 GLN 11 1HE2 GLN 11 0.229 8.484 -10.215 81 HE22 GLN 11 2HE2 GLN 11 0.879 7.181 -11.143 82 H THR 12 H THR 12 -4.175 9.154 -10.870 83 HA THR 12 HA THR 12 -6.415 7.357 -10.465 84 HB THR 12 HB THR 12 -7.879 9.279 -9.675 85 HG1 THR 12 HG1 THR 12 -5.300 10.392 -9.216 86 HG21 THR 12 3HG2 THR 12 -7.622 8.633 -7.496 87 HG22 THR 12 1HG2 THR 12 -5.863 8.743 -7.554 88 HG23 THR 12 2HG2 THR 12 -6.685 7.362 -8.281 89 H PHE 13 H PHE 13 -6.559 10.811 -11.152 90 HA PHE 13 HA PHE 13 -6.427 10.680 -13.948 91 HB2 PHE 13 2HB PHE 13 -8.714 10.718 -14.630 92 HB3 PHE 13 3HB PHE 13 -8.527 9.328 -13.566 93 HD1 PHE 13 HD1 PHE 13 -9.897 12.722 -13.864 94 HD2 PHE 13 HD2 PHE 13 -9.649 9.217 -11.462 95 HE1 PHE 13 HE1 PHE 13 -11.740 13.555 -12.464 96 HE2 PHE 13 HE2 PHE 13 -11.492 10.044 -10.059 97 HZ PHE 13 HZ PHE 13 -12.541 12.216 -10.559 98 H GLU 14 H GLU 14 -6.374 12.699 -14.812 99 HA GLU 14 HA GLU 14 -6.831 14.917 -12.946 100 HB2 GLU 14 2HB GLU 14 -4.586 14.450 -14.218 101 HB3 GLU 14 3HB GLU 14 -5.410 15.224 -15.564 102 HG2 GLU 14 2HG GLU 14 -4.002 16.767 -14.258 103 HG3 GLU 14 3HG GLU 14 -5.698 17.243 -14.309 104 H VAL 15 H VAL 15 -7.893 16.827 -13.645 105 HA VAL 15 HA VAL 15 -9.789 16.360 -15.851 106 HB VAL 15 HB VAL 15 -10.178 18.280 -13.559 107 HG11 VAL 15 1HG1 VAL 15 -11.760 18.984 -14.994 108 HG12 VAL 15 2HG1 VAL 15 -11.716 17.492 -15.936 109 HG13 VAL 15 3HG1 VAL 15 -12.640 17.563 -14.434 110 HG21 VAL 15 3HG2 VAL 15 -10.367 16.434 -12.286 111 HG22 VAL 15 1HG2 VAL 15 -11.932 16.264 -13.081 112 HG23 VAL 15 2HG2 VAL 15 -10.537 15.367 -13.680 113 H GLU 16 H GLU 16 -10.374 18.148 -17.186 114 HA GLU 16 HA GLU 16 -8.160 19.790 -17.900 115 HB2 GLU 16 2HB GLU 16 -10.494 18.919 -19.146 116 HB3 GLU 16 3HB GLU 16 -10.699 20.660 -19.011 117 HG2 GLU 16 2HG GLU 16 -8.093 19.678 -20.009 118 HG3 GLU 16 3HG GLU 16 -9.487 19.510 -21.074 119 H ARG 17 H ARG 17 -11.476 20.833 -17.111 120 HA ARG 17 HA ARG 17 -10.724 22.613 -15.058 121 HB2 ARG 17 2HB ARG 17 -10.600 24.683 -16.070 122 HB3 ARG 17 3HB ARG 17 -9.807 23.673 -17.271 123 HG2 ARG 17 2HG ARG 17 -12.671 24.601 -17.347 124 HG3 ARG 17 3HG ARG 17 -11.340 25.230 -18.321 125 HD2 ARG 17 2HD ARG 17 -11.174 22.578 -18.863 126 HD3 ARG 17 3HD ARG 17 -12.911 22.763 -18.622 127 HE ARG 17 HE ARG 17 -11.415 23.632 -20.864 128 HH11 ARG 17 1HH1 ARG 17 -14.077 24.547 -18.816 129 HH12 ARG 17 2HH1 ARG 17 -14.870 25.479 -20.043 130 HH21 ARG 17 1HH2 ARG 17 -12.449 24.855 -22.487 131 HH22 ARG 17 2HH2 ARG 17 -13.944 25.653 -22.131 132 H ILE 18 H ILE 18 -12.545 24.142 -14.506 133 HA ILE 18 HA ILE 18 -15.001 22.691 -14.536 134 HB ILE 18 HB ILE 18 -14.534 25.531 -13.621 135 HG12 ILE 18 2HG1 ILE 18 -13.085 23.660 -12.591 136 HG13 ILE 18 3HG1 ILE 18 -13.962 24.722 -11.495 137 HG21 ILE 18 1HG2 ILE 18 -16.772 23.574 -13.282 138 HG22 ILE 18 2HG2 ILE 18 -16.483 24.824 -12.072 139 HG23 ILE 18 3HG2 ILE 18 -16.835 25.276 -13.739 140 HD11 ILE 18 3HD1 ILE 18 -13.988 22.236 -10.991 141 HD12 ILE 18 1HD1 ILE 18 -15.540 23.073 -10.989 142 HD13 ILE 18 2HD1 ILE 18 -15.074 22.082 -12.372 143 H VAL 19 H VAL 19 -16.201 22.581 -16.321 144 HA VAL 19 HA VAL 19 -16.176 24.400 -18.448 145 HB VAL 19 HB VAL 19 -18.501 22.615 -17.737 146 HG11 VAL 19 1HG1 VAL 19 -17.617 23.043 -20.522 147 HG12 VAL 19 2HG1 VAL 19 -19.244 22.910 -19.854 148 HG13 VAL 19 3HG1 VAL 19 -18.352 24.425 -19.711 149 HG21 VAL 19 3HG2 VAL 19 -15.780 21.955 -18.696 150 HG22 VAL 19 1HG2 VAL 19 -16.907 21.001 -17.731 151 HG23 VAL 19 2HG2 VAL 19 -17.125 21.124 -19.477 152 H ARG 20 H ARG 20 -18.644 23.962 -15.909 153 HA ARG 20 HA ARG 20 -19.127 26.774 -15.737 154 HB2 ARG 20 2HB ARG 20 -21.485 26.713 -16.458 155 HB3 ARG 20 3HB ARG 20 -20.378 26.353 -17.776 156 HG2 ARG 20 2HG ARG 20 -21.348 24.004 -16.316 157 HG3 ARG 20 3HG ARG 20 -22.590 24.913 -17.178 158 HD2 ARG 20 2HD ARG 20 -20.339 24.696 -18.884 159 HD3 ARG 20 3HD ARG 20 -20.658 23.096 -18.216 160 HE ARG 20 HE ARG 20 -22.611 23.011 -19.422 161 HH11 ARG 20 1HH1 ARG 20 -21.360 26.259 -19.454 162 HH12 ARG 20 2HH1 ARG 20 -22.479 26.818 -20.653 163 HH21 ARG 20 1HH2 ARG 20 -24.089 23.734 -21.001 164 HH22 ARG 20 2HH2 ARG 20 -24.031 25.380 -21.532 165 H LYS 21 H LYS 21 -21.513 26.920 -14.534 166 HA LYS 21 HA LYS 21 -21.789 24.806 -12.569 167 HB2 LYS 21 2HB LYS 21 -21.377 26.167 -10.642 168 HB3 LYS 21 3HB LYS 21 -19.977 26.304 -11.698 169 HG2 LYS 21 2HG LYS 21 -20.572 28.476 -12.379 170 HG3 LYS 21 3HG LYS 21 -22.199 28.323 -11.712 171 HD2 LYS 21 2HD LYS 21 -20.664 27.876 -9.508 172 HD3 LYS 21 3HD LYS 21 -19.674 29.037 -10.395 173 HE2 LYS 21 2HE LYS 21 -21.923 30.332 -10.648 174 HE3 LYS 21 3HE LYS 21 -22.427 29.352 -9.272 175 HZ1 LYS 21 3HZ LYS 21 -19.842 30.617 -8.984 176 HZ2 LYS 21 1HZ LYS 21 -21.116 30.491 -7.878 177 HZ3 LYS 21 2HZ LYS 21 -21.145 31.693 -9.068 178 H LYS 22 H LYS 22 -23.684 25.069 -11.218 179 HA LYS 22 HA LYS 22 -25.518 27.198 -11.579 180 HB2 LYS 22 2HB LYS 22 -27.186 26.204 -12.940 181 HB3 LYS 22 3HB LYS 22 -25.669 25.998 -13.805 182 HG2 LYS 22 2HG LYS 22 -26.193 23.852 -13.993 183 HG3 LYS 22 3HG LYS 22 -25.884 23.707 -12.261 184 HD2 LYS 22 2HD LYS 22 -28.013 23.084 -12.043 185 HD3 LYS 22 3HD LYS 22 -28.454 24.751 -12.420 186 HE2 LYS 22 2HE LYS 22 -28.341 24.065 -14.864 187 HE3 LYS 22 3HE LYS 22 -28.274 22.400 -14.288 188 HZ1 LYS 22 3HZ LYS 22 -30.398 23.979 -13.136 189 HZ2 LYS 22 1HZ LYS 22 -30.435 22.411 -13.771 190 HZ3 LYS 22 2HZ LYS 22 -30.539 23.745 -14.805 191 H ILE 23 H ILE 23 -27.247 27.078 -10.158 192 HA ILE 23 HA ILE 23 -27.173 24.785 -8.313 193 HB ILE 23 HB ILE 23 -27.759 26.169 -6.539 194 HG12 ILE 23 2HG1 ILE 23 -28.334 28.707 -7.259 195 HG13 ILE 23 3HG1 ILE 23 -28.963 27.850 -8.662 196 HG21 ILE 23 1HG2 ILE 23 -25.505 26.693 -7.853 197 HG22 ILE 23 2HG2 ILE 23 -26.259 28.282 -7.974 198 HG23 ILE 23 3HG2 ILE 23 -25.970 27.561 -6.391 199 HD11 ILE 23 3HD1 ILE 23 -30.786 27.309 -7.544 200 HD12 ILE 23 1HD1 ILE 23 -29.826 26.522 -6.292 201 HD13 ILE 23 2HD1 ILE 23 -30.193 28.243 -6.170 202 H VAL 24 H VAL 24 -29.126 23.931 -7.514 203 HA VAL 24 HA VAL 24 -31.583 24.772 -8.883 204 HB VAL 24 HB VAL 24 -31.300 21.859 -8.526 205 HG11 VAL 24 1HG1 VAL 24 -32.073 23.056 -11.105 206 HG12 VAL 24 2HG1 VAL 24 -32.849 21.780 -10.165 207 HG13 VAL 24 3HG1 VAL 24 -33.094 23.472 -9.729 208 HG21 VAL 24 3HG2 VAL 24 -30.019 21.612 -10.639 209 HG22 VAL 24 1HG2 VAL 24 -29.698 23.346 -10.603 210 HG23 VAL 24 2HG2 VAL 24 -29.072 22.307 -9.323 211 H HIS 25 H HIS 25 -33.165 25.086 -7.471 212 HA HIS 25 HA HIS 25 -34.391 25.065 -5.554 213 HB2 HIS 25 2HB HIS 25 -34.388 22.551 -6.404 214 HB3 HIS 25 3HB HIS 25 -33.486 22.293 -4.914 215 HD1 HIS 25 HD1 HIS 25 -35.014 21.476 -3.165 216 HD2 HIS 25 HD2 HIS 25 -36.839 24.312 -5.592 217 HE1 HIS 25 HE1 HIS 25 -37.327 21.779 -2.224 218 H GLY 26 H GLY 26 -31.458 25.712 -5.479 219 HA2 GLY 26 2HA GLY 26 -30.326 26.713 -3.663 220 HA3 GLY 26 3HA GLY 26 -31.235 25.688 -2.562 221 H ASN 27 H ASN 27 -29.924 24.070 -5.261 222 HA ASN 27 HA ASN 27 -27.716 23.061 -3.591 223 HB2 ASN 27 2HB ASN 27 -29.265 21.557 -5.712 224 HB3 ASN 27 3HB ASN 27 -27.964 20.904 -4.720 225 HD21 ASN 27 1HD2 ASN 27 -28.322 20.802 -2.409 226 HD22 ASN 27 2HD2 ASN 27 -29.926 20.559 -1.813 227 H THR 28 H THR 28 -25.925 24.038 -4.312 228 HA THR 28 HA THR 28 -25.527 24.905 -6.979 229 HB THR 28 HB THR 28 -23.228 24.366 -5.132 230 HG1 THR 28 HG1 THR 28 -23.767 26.483 -4.201 231 HG21 THR 28 3HG2 THR 28 -23.012 25.345 -7.475 232 HG22 THR 28 1HG2 THR 28 -22.252 26.249 -6.166 233 HG23 THR 28 2HG2 THR 28 -23.796 26.786 -6.828 234 H SER 29 H SER 29 -24.283 24.057 -8.631 235 HA SER 29 HA SER 29 -23.094 21.414 -8.274 236 HB2 SER 29 2HB SER 29 -25.159 22.007 -10.410 237 HB3 SER 29 3HB SER 29 -24.244 20.508 -10.251 238 HG SER 29 HG SER 29 -25.315 20.053 -8.378 239 H TYR 30 H TYR 30 -21.183 21.310 -9.248 240 HA TYR 30 HA TYR 30 -20.522 23.368 -11.237 241 HB2 TYR 30 2HB TYR 30 -18.886 21.805 -9.266 242 HB3 TYR 30 3HB TYR 30 -18.119 22.515 -10.682 243 HD1 TYR 30 HD2 TYR 30 -20.747 23.733 -8.315 244 HD2 TYR 30 HD1 TYR 30 -16.935 24.400 -10.084 245 HE1 TYR 30 HE2 TYR 30 -20.586 25.887 -7.141 246 HE2 TYR 30 HE1 TYR 30 -16.763 26.556 -8.913 247 HH TYR 30 HH TYR 30 -19.088 27.522 -6.491 248 H LEU 31 H LEU 31 -20.528 22.760 -13.287 249 HA LEU 31 HA LEU 31 -20.321 19.939 -13.975 250 HB2 LEU 31 2HB LEU 31 -22.085 21.374 -14.956 251 HB3 LEU 31 3HB LEU 31 -20.829 22.321 -15.751 252 HG LEU 31 HG LEU 31 -20.263 20.524 -17.193 253 HD11 LEU 31 1HD1 LEU 31 -21.890 18.403 -16.815 254 HD12 LEU 31 2HD1 LEU 31 -21.621 18.907 -15.147 255 HD13 LEU 31 3HD1 LEU 31 -20.248 18.516 -16.182 256 HD21 LEU 31 3HD2 LEU 31 -23.106 21.248 -16.895 257 HD22 LEU 31 1HD2 LEU 31 -22.766 19.844 -17.907 258 HD23 LEU 31 2HD2 LEU 31 -22.031 21.403 -18.285 259 H VAL 32 H VAL 32 -18.339 19.139 -14.205 260 HA VAL 32 HA VAL 32 -16.308 20.796 -15.556 261 HB VAL 32 HB VAL 32 -15.823 20.198 -13.161 262 HG11 VAL 32 1HG1 VAL 32 -16.794 17.956 -13.171 263 HG12 VAL 32 2HG1 VAL 32 -15.549 17.418 -14.299 264 HG13 VAL 32 3HG1 VAL 32 -15.105 17.918 -12.667 265 HG21 VAL 32 3HG2 VAL 32 -13.987 19.312 -15.372 266 HG22 VAL 32 1HG2 VAL 32 -13.990 20.845 -14.500 267 HG23 VAL 32 2HG2 VAL 32 -13.484 19.366 -13.683 268 H LYS 33 H LYS 33 -15.097 19.902 -17.192 269 HA LYS 33 HA LYS 33 -16.258 17.589 -18.490 270 HB2 LYS 33 2HB LYS 33 -14.614 18.135 -20.301 271 HB3 LYS 33 3HB LYS 33 -15.726 19.441 -19.910 272 HG2 LYS 33 2HG LYS 33 -14.020 20.578 -18.647 273 HG3 LYS 33 3HG LYS 33 -12.905 19.229 -18.878 274 HD2 LYS 33 2HD LYS 33 -12.305 20.923 -20.444 275 HD3 LYS 33 3HD LYS 33 -13.087 19.625 -21.350 276 HE2 LYS 33 2HE LYS 33 -15.162 20.878 -21.406 277 HE3 LYS 33 3HE LYS 33 -14.450 22.148 -20.413 278 HZ1 LYS 33 3HZ LYS 33 -14.283 22.961 -22.562 279 HZ2 LYS 33 1HZ LYS 33 -13.866 21.460 -23.222 280 HZ3 LYS 33 2HZ LYS 33 -12.743 22.317 -22.292 281 H TRP 34 H TRP 34 -14.278 16.326 -19.749 282 HA TRP 34 HA TRP 34 -12.496 15.360 -17.611 283 HB2 TRP 34 2HB TRP 34 -13.937 13.717 -19.703 284 HB3 TRP 34 3HB TRP 34 -12.721 13.087 -18.595 285 HD1 TRP 34 HD1 TRP 34 -13.988 14.891 -16.083 286 HE1 TRP 34 HE1 TRP 34 -16.075 13.929 -14.924 287 HE3 TRP 34 HE3 TRP 34 -15.554 11.696 -19.754 288 HZ2 TRP 34 HZ2 TRP 34 -18.114 12.061 -15.490 289 HZ3 TRP 34 HZ3 TRP 34 -17.581 10.357 -19.366 290 HH2 TRP 34 HH2 TRP 34 -18.833 10.537 -17.277 291 H LYS 35 H LYS 35 -11.123 17.052 -18.719 292 HA LYS 35 HA LYS 35 -9.280 17.543 -19.958 293 HB2 LYS 35 2HB LYS 35 -9.037 14.885 -19.380 294 HB3 LYS 35 3HB LYS 35 -8.964 14.864 -21.137 295 HG2 LYS 35 2HG LYS 35 -7.228 16.802 -20.761 296 HG3 LYS 35 3HG LYS 35 -7.077 16.050 -19.171 297 HD2 LYS 35 2HD LYS 35 -5.432 15.021 -20.505 298 HD3 LYS 35 3HD LYS 35 -6.753 13.853 -20.414 299 HE2 LYS 35 2HE LYS 35 -6.943 13.850 -22.627 300 HE3 LYS 35 3HE LYS 35 -7.191 15.595 -22.636 301 HZ1 LYS 35 3HZ LYS 35 -5.153 14.463 -23.844 302 HZ2 LYS 35 1HZ LYS 35 -4.454 14.633 -22.312 303 HZ3 LYS 35 2HZ LYS 35 -5.032 15.994 -23.134 304 H ASN 36 H ASN 36 -11.799 17.971 -21.116 305 HA ASN 36 HA ASN 36 -12.709 18.593 -23.107 306 HB2 ASN 36 2HB ASN 36 -10.022 17.895 -24.308 307 HB3 ASN 36 3HB ASN 36 -11.259 18.924 -25.022 308 HD21 ASN 36 1HD2 ASN 36 -11.998 20.432 -22.843 309 HD22 ASN 36 2HD2 ASN 36 -10.672 21.430 -22.363 310 H TYR 37 H TYR 37 -12.290 15.651 -22.187 311 HA TYR 37 HA TYR 37 -12.582 14.208 -24.681 312 HB2 TYR 37 2HB TYR 37 -11.344 13.223 -22.779 313 HB3 TYR 37 3HB TYR 37 -12.827 13.221 -21.831 314 HD1 TYR 37 HD1 TYR 37 -14.717 11.739 -22.512 315 HD2 TYR 37 HD2 TYR 37 -10.893 11.512 -24.364 316 HE1 TYR 37 HE1 TYR 37 -15.285 9.516 -23.399 317 HE2 TYR 37 HE2 TYR 37 -11.451 9.289 -25.257 318 HH TYR 37 HH TYR 37 -14.297 8.121 -25.637 319 H SER 38 H SER 38 -14.603 15.628 -22.275 320 HA SER 38 HA SER 38 -16.963 14.764 -23.762 321 HB2 SER 38 2HB SER 38 -18.004 14.538 -21.300 322 HB3 SER 38 3HB SER 38 -17.281 13.172 -22.149 323 HG SER 38 HG SER 38 -16.480 14.398 -19.873 324 H SER 39 H SER 39 -16.264 17.146 -24.248 325 HA SER 39 HA SER 39 -16.658 19.226 -22.470 326 HB2 SER 39 2HB SER 39 -15.745 19.539 -24.731 327 HB3 SER 39 3HB SER 39 -17.327 19.185 -25.424 328 HG SER 39 HG SER 39 -17.022 21.419 -25.273 329 H LYS 40 H LYS 40 -18.995 17.201 -24.049 330 HA LYS 40 HA LYS 40 -21.178 18.858 -22.976 331 HB2 LYS 40 2HB LYS 40 -21.309 16.728 -25.118 332 HB3 LYS 40 3HB LYS 40 -22.638 17.751 -24.590 333 HG2 LYS 40 2HG LYS 40 -21.987 18.834 -26.494 334 HG3 LYS 40 3HG LYS 40 -21.027 19.691 -25.285 335 HD2 LYS 40 2HD LYS 40 -19.248 19.201 -26.541 336 HD3 LYS 40 3HD LYS 40 -19.437 17.537 -25.981 337 HE2 LYS 40 2HE LYS 40 -19.547 17.090 -28.188 338 HE3 LYS 40 3HE LYS 40 -21.231 17.573 -27.992 339 HZ1 LYS 40 3HZ LYS 40 -20.920 19.398 -29.213 340 HZ2 LYS 40 1HZ LYS 40 -19.498 18.659 -29.752 341 HZ3 LYS 40 2HZ LYS 40 -19.442 19.773 -28.481 342 H ASP 41 H ASP 41 -19.647 15.755 -22.861 343 HA ASP 41 HA ASP 41 -21.819 14.545 -21.353 344 HB2 ASP 41 2HB ASP 41 -19.750 13.555 -22.984 345 HB3 ASP 41 3HB ASP 41 -19.389 12.990 -21.355 346 H ASN 42 H ASN 42 -19.778 16.799 -20.518 347 HA ASN 42 HA ASN 42 -18.192 16.004 -18.429 348 HB2 ASN 42 2HB ASN 42 -18.810 18.302 -17.416 349 HB3 ASN 42 3HB ASN 42 -18.048 18.270 -19.004 350 HD21 ASN 42 1HD2 ASN 42 -18.902 20.292 -19.508 351 HD22 ASN 42 2HD2 ASN 42 -20.569 20.504 -19.911 352 H THR 43 H THR 43 -18.537 16.233 -16.077 353 HA THR 43 HA THR 43 -21.160 15.134 -15.325 354 HB THR 43 HB THR 43 -19.460 14.796 -13.145 355 HG1 THR 43 HG1 THR 43 -17.564 15.053 -14.162 356 HG21 THR 43 3HG2 THR 43 -20.429 12.987 -15.336 357 HG22 THR 43 1HG2 THR 43 -20.992 13.107 -13.670 358 HG23 THR 43 2HG2 THR 43 -19.427 12.374 -14.021 359 H TRP 44 H TRP 44 -22.243 15.904 -13.494 360 HA TRP 44 HA TRP 44 -21.512 18.646 -12.754 361 HB2 TRP 44 2HB TRP 44 -24.130 17.348 -12.058 362 HB3 TRP 44 3HB TRP 44 -23.769 19.055 -12.304 363 HD1 TRP 44 HD1 TRP 44 -23.931 19.999 -14.755 364 HE1 TRP 44 HE1 TRP 44 -24.809 19.021 -16.968 365 HE3 TRP 44 HE3 TRP 44 -24.288 15.087 -13.385 366 HZ2 TRP 44 HZ2 TRP 44 -25.554 16.500 -17.997 367 HZ3 TRP 44 HZ3 TRP 44 -25.093 13.456 -15.043 368 HH2 TRP 44 HH2 TRP 44 -25.713 14.150 -17.300 369 H GLU 45 H GLU 45 -20.129 18.545 -11.067 370 HA GLU 45 HA GLU 45 -20.796 16.792 -8.810 371 HB2 GLU 45 2HB GLU 45 -18.253 18.211 -9.594 372 HB3 GLU 45 3HB GLU 45 -18.462 17.431 -8.032 373 HG2 GLU 45 2HG GLU 45 -19.208 15.627 -10.128 374 HG3 GLU 45 3HG GLU 45 -17.598 16.277 -10.432 375 H THR 46 H THR 46 -21.653 17.605 -7.020 376 HA THR 46 HA THR 46 -22.608 20.127 -6.672 377 HB THR 46 HB THR 46 -22.037 19.528 -4.081 378 HG1 THR 46 HG1 THR 46 -22.336 17.133 -4.092 379 HG21 THR 46 3HG2 THR 46 -24.268 19.870 -4.782 380 HG22 THR 46 1HG2 THR 46 -24.224 18.226 -4.145 381 HG23 THR 46 2HG2 THR 46 -24.214 18.498 -5.888 382 H GLU 47 H GLU 47 -21.954 21.981 -5.496 383 HA GLU 47 HA GLU 47 -19.358 22.870 -6.013 384 HB2 GLU 47 2HB GLU 47 -20.993 24.536 -5.732 385 HB3 GLU 47 3HB GLU 47 -21.539 23.866 -4.201 386 HG2 GLU 47 2HG GLU 47 -19.490 24.581 -3.125 387 HG3 GLU 47 3HG GLU 47 -18.877 25.193 -4.660 388 H ASP 48 H ASP 48 -20.639 21.056 -3.368 389 HA ASP 48 HA ASP 48 -18.290 21.552 -1.706 390 HB2 ASP 48 2HB ASP 48 -20.925 21.137 -1.065 391 HB3 ASP 48 3HB ASP 48 -20.225 19.545 -0.782 392 H ASP 49 H ASP 49 -19.032 19.594 -4.224 393 HA ASP 49 HA ASP 49 -17.276 17.441 -3.240 394 HB2 ASP 49 2HB ASP 49 -19.812 16.987 -3.855 395 HB3 ASP 49 3HB ASP 49 -19.171 16.951 -5.496 396 H ILE 50 H ILE 50 -17.473 20.028 -5.275 397 HA ILE 50 HA ILE 50 -15.745 18.830 -7.325 398 HB ILE 50 HB ILE 50 -17.731 20.082 -8.115 399 HG12 ILE 50 2HG1 ILE 50 -15.983 21.897 -9.318 400 HG13 ILE 50 3HG1 ILE 50 -14.966 20.526 -8.887 401 HG21 ILE 50 1HG2 ILE 50 -16.549 22.703 -7.522 402 HG22 ILE 50 2HG2 ILE 50 -18.233 22.183 -7.497 403 HG23 ILE 50 3HG2 ILE 50 -17.184 21.838 -6.123 404 HD11 ILE 50 3HD1 ILE 50 -15.920 20.420 -11.172 405 HD12 ILE 50 1HD1 ILE 50 -16.327 19.036 -10.159 406 HD13 ILE 50 2HD1 ILE 50 -17.524 20.299 -10.449 407 H ARG 51 H ARG 51 -15.873 21.323 -4.861 408 HA ARG 51 HA ARG 51 -13.337 22.475 -5.554 409 HB2 ARG 51 2HB ARG 51 -13.765 24.029 -3.934 410 HB3 ARG 51 3HB ARG 51 -15.406 23.462 -4.209 411 HG2 ARG 51 2HG ARG 51 -13.666 22.253 -2.091 412 HG3 ARG 51 3HG ARG 51 -14.613 23.713 -1.797 413 HD2 ARG 51 2HD ARG 51 -16.634 22.602 -2.033 414 HD3 ARG 51 3HD ARG 51 -15.915 21.283 -2.956 415 HE ARG 51 HE ARG 51 -15.555 20.198 -0.988 416 HH11 ARG 51 1HH1 ARG 51 -15.859 23.602 -0.326 417 HH12 ARG 51 2HH1 ARG 51 -15.766 23.409 1.393 418 HH21 ARG 51 1HH2 ARG 51 -15.431 19.931 1.274 419 HH22 ARG 51 2HH2 ARG 51 -15.522 21.320 2.302 420 H THR 52 H THR 52 -14.480 19.990 -3.378 421 HA THR 52 HA THR 52 -11.925 19.767 -2.024 422 HB THR 52 HB THR 52 -13.867 19.363 -0.667 423 HG1 THR 52 HG1 THR 52 -13.247 17.392 0.177 424 HG21 THR 52 3HG2 THR 52 -15.493 18.724 -2.306 425 HG22 THR 52 1HG2 THR 52 -15.353 17.403 -1.147 426 HG23 THR 52 2HG2 THR 52 -14.579 17.276 -2.726 427 H LYS 53 H LYS 53 -13.477 18.444 -4.776 428 HA LYS 53 HA LYS 53 -11.602 16.185 -4.868 429 HB2 LYS 53 2HB LYS 53 -13.716 15.311 -5.260 430 HB3 LYS 53 3HB LYS 53 -14.252 16.733 -6.145 431 HG2 LYS 53 2HG LYS 53 -14.015 14.865 -7.648 432 HG3 LYS 53 3HG LYS 53 -12.801 16.091 -8.021 433 HD2 LYS 53 2HD LYS 53 -11.510 14.492 -6.197 434 HD3 LYS 53 3HD LYS 53 -12.470 13.333 -7.120 435 HE2 LYS 53 2HE LYS 53 -11.356 13.761 -9.076 436 HE3 LYS 53 3HE LYS 53 -10.945 15.410 -8.607 437 HZ1 LYS 53 3HZ LYS 53 -9.184 13.442 -8.622 438 HZ2 LYS 53 1HZ LYS 53 -9.748 13.271 -7.036 439 HZ3 LYS 53 2HZ LYS 53 -9.086 14.742 -7.544 440 H TYR 54 H TYR 54 -12.744 18.967 -6.725 441 HA TYR 54 HA TYR 54 -10.356 18.705 -8.433 442 HB2 TYR 54 2HB TYR 54 -12.942 20.037 -9.241 443 HB3 TYR 54 3HB TYR 54 -11.574 19.635 -10.272 444 HD1 TYR 54 HD2 TYR 54 -11.016 17.135 -10.551 445 HD2 TYR 54 HD1 TYR 54 -14.727 18.550 -9.026 446 HE1 TYR 54 HE2 TYR 54 -12.058 14.976 -11.100 447 HE2 TYR 54 HE1 TYR 54 -15.779 16.395 -9.569 448 HH TYR 54 HH TYR 54 -15.322 14.494 -11.247 449 H GLY 55 H GLY 55 -10.525 20.084 -5.897 450 HA2 GLY 55 2HA GLY 55 -10.962 22.784 -5.935 451 HA3 GLY 55 3HA GLY 55 -9.655 22.033 -5.032 452 H ASP 56 H ASP 56 -8.449 21.051 -7.593 453 HA ASP 56 HA ASP 56 -6.574 23.069 -7.980 454 HB2 ASP 56 2HB ASP 56 -6.967 20.459 -8.915 455 HB3 ASP 56 3HB ASP 56 -6.892 21.455 -10.365 456 H LEU 57 H LEU 57 -9.238 22.136 -10.162 457 HA LEU 57 HA LEU 57 -8.878 24.535 -11.734 458 HB2 LEU 57 2HB LEU 57 -11.116 23.548 -12.744 459 HB3 LEU 57 3HB LEU 57 -9.531 22.894 -13.151 460 HG LEU 57 HG LEU 57 -10.957 21.659 -10.863 461 HD11 LEU 57 1HD1 LEU 57 -12.265 22.013 -13.341 462 HD12 LEU 57 2HD1 LEU 57 -12.765 21.023 -11.971 463 HD13 LEU 57 3HD1 LEU 57 -11.766 20.325 -13.245 464 HD21 LEU 57 3HD2 LEU 57 -9.404 20.507 -13.177 465 HD22 LEU 57 1HD2 LEU 57 -9.915 19.659 -11.717 466 HD23 LEU 57 2HD2 LEU 57 -8.712 20.946 -11.614 467 H VAL 58 H VAL 58 -11.114 23.304 -9.322 468 HA VAL 58 HA VAL 58 -13.191 25.126 -9.562 469 HB VAL 58 HB VAL 58 -12.075 23.818 -7.082 470 HG11 VAL 58 1HG1 VAL 58 -14.508 25.533 -7.468 471 HG12 VAL 58 2HG1 VAL 58 -14.411 24.334 -6.177 472 HG13 VAL 58 3HG1 VAL 58 -13.250 25.661 -6.239 473 HG21 VAL 58 3HG2 VAL 58 -13.990 23.043 -9.188 474 HG22 VAL 58 1HG2 VAL 58 -12.940 22.045 -8.183 475 HG23 VAL 58 2HG2 VAL 58 -14.462 22.657 -7.533 476 H ASP 59 H ASP 59 -10.069 25.470 -7.975 477 HA ASP 59 HA ASP 59 -10.715 28.042 -6.844 478 HB2 ASP 59 2HB ASP 59 -9.003 26.246 -5.999 479 HB3 ASP 59 3HB ASP 59 -7.909 27.030 -7.135 480 H ASP 60 H ASP 60 -10.331 27.177 -9.911 481 HA ASP 60 HA ASP 60 -8.897 29.648 -10.640 482 HB2 ASP 60 2HB ASP 60 -8.431 26.959 -11.460 483 HB3 ASP 60 3HB ASP 60 -9.017 27.857 -12.857 484 H PHE 61 H PHE 61 -11.813 27.892 -10.804 485 HA PHE 61 HA PHE 61 -12.820 29.462 -13.058 486 HB2 PHE 61 2HB PHE 61 -13.303 27.079 -13.125 487 HB3 PHE 61 3HB PHE 61 -14.049 27.158 -11.532 488 HD1 PHE 61 HD2 PHE 61 -14.404 28.166 -15.058 489 HD2 PHE 61 HD1 PHE 61 -16.292 27.856 -11.256 490 HE1 PHE 61 HE2 PHE 61 -16.581 28.627 -16.106 491 HE2 PHE 61 HE1 PHE 61 -18.473 28.315 -12.298 492 HZ PHE 61 HZ PHE 61 -18.620 28.702 -14.726 493 H GLU 62 H GLU 62 -13.781 28.643 -9.725 494 HA GLU 62 HA GLU 62 -15.793 30.669 -9.626 495 HB2 GLU 62 2HB GLU 62 -16.177 29.982 -7.402 496 HB3 GLU 62 3HB GLU 62 -15.727 28.519 -8.266 497 HG2 GLU 62 2HG GLU 62 -14.430 28.249 -6.436 498 HG3 GLU 62 3HG GLU 62 -13.315 29.207 -7.409 499 H LYS 63 H LYS 63 -12.433 30.438 -8.646 500 HA LYS 63 HA LYS 63 -12.375 32.836 -7.119 501 HB2 LYS 63 2HB LYS 63 -10.140 31.324 -8.484 502 HB3 LYS 63 3HB LYS 63 -9.910 32.636 -7.335 503 HG2 LYS 63 2HG LYS 63 -11.342 30.066 -6.698 504 HG3 LYS 63 3HG LYS 63 -9.633 30.364 -6.370 505 HD2 LYS 63 2HD LYS 63 -10.367 32.381 -5.039 506 HD3 LYS 63 3HD LYS 63 -12.019 31.781 -5.198 507 HE2 LYS 63 2HE LYS 63 -11.131 29.594 -4.226 508 HE3 LYS 63 3HE LYS 63 -9.692 30.511 -3.784 509 HZ1 LYS 63 3HZ LYS 63 -11.424 30.333 -2.016 510 HZ2 LYS 63 1HZ LYS 63 -12.432 31.300 -2.971 511 HZ3 LYS 63 2HZ LYS 63 -10.967 31.917 -2.394 512 H ASN 64 H ASN 64 -12.650 32.282 -10.422 513 HA ASN 64 HA ASN 64 -11.390 34.828 -11.144 514 HB2 ASN 64 2HB ASN 64 -12.298 32.444 -12.741 515 HB3 ASN 64 3HB ASN 64 -11.968 33.989 -13.519 516 HD21 ASN 64 1HD2 ASN 64 -10.336 32.416 -10.809 517 HD22 ASN 64 2HD2 ASN 64 -8.788 32.315 -11.572 518 H GLN 65 H GLN 65 -14.481 33.118 -11.283 519 HA GLN 65 HA GLN 65 -15.829 35.426 -12.405 520 HB2 GLN 65 2HB GLN 65 -17.793 34.047 -12.472 521 HB3 GLN 65 3HB GLN 65 -16.434 33.088 -13.042 522 HG2 GLN 65 2HG GLN 65 -17.125 31.531 -11.622 523 HG3 GLN 65 3HG GLN 65 -16.468 32.559 -10.349 524 HE21 GLN 65 1HE2 GLN 65 -19.393 32.474 -12.365 525 HE22 GLN 65 2HE2 GLN 65 -20.502 32.704 -11.061 526 H LYS 66 H LYS 66 -14.833 34.528 -9.377 527 HA LYS 66 HA LYS 66 -16.968 35.061 -7.686 528 HB2 LYS 66 2HB LYS 66 -15.215 35.730 -6.020 529 HB3 LYS 66 3HB LYS 66 -14.942 34.168 -6.781 530 HG2 LYS 66 2HG LYS 66 -12.843 35.098 -6.838 531 HG3 LYS 66 3HG LYS 66 -13.466 35.528 -8.433 532 HD2 LYS 66 2HD LYS 66 -13.399 37.719 -7.980 533 HD3 LYS 66 3HD LYS 66 -14.121 37.496 -6.385 534 HE2 LYS 66 2HE LYS 66 -12.091 37.274 -5.347 535 HE3 LYS 66 3HE LYS 66 -11.300 36.644 -6.790 536 HZ1 LYS 66 3HZ LYS 66 -10.768 39.023 -5.990 537 HZ2 LYS 66 1HZ LYS 66 -12.232 39.435 -6.730 538 HZ3 LYS 66 2HZ LYS 66 -10.988 38.744 -7.644 539 H LYS 67 H LYS 67 -15.033 37.228 -9.579 540 HA LYS 67 HA LYS 67 -16.830 39.395 -9.106 541 HB2 LYS 67 2HB LYS 67 -14.976 39.233 -7.161 542 HB3 LYS 67 3HB LYS 67 -14.072 40.174 -8.341 543 HG2 LYS 67 2HG LYS 67 -16.647 41.312 -8.178 544 HG3 LYS 67 3HG LYS 67 -16.092 41.033 -6.526 545 HD2 LYS 67 2HD LYS 67 -14.348 42.348 -8.591 546 HD3 LYS 67 3HD LYS 67 -15.491 43.269 -7.611 547 HE2 LYS 67 2HE LYS 67 -14.396 42.308 -5.580 548 HE3 LYS 67 3HE LYS 67 -13.177 41.599 -6.638 549 HZ1 LYS 67 3HZ LYS 67 -12.171 43.563 -6.925 550 HZ2 LYS 67 1HZ LYS 67 -12.986 44.025 -5.516 551 HZ3 LYS 67 2HZ LYS 67 -13.621 44.427 -7.031 Start of MODEL 13 1 H1 MET 1 H MET 1 3.114 -7.467 -12.959 2 HA MET 1 HA MET 1 1.499 -8.778 -14.418 3 HB2 MET 1 2HB MET 1 -0.643 -9.285 -13.118 4 HB3 MET 1 3HB MET 1 0.724 -10.362 -12.862 5 HG2 MET 1 2HG MET 1 1.200 -9.420 -10.755 6 HG3 MET 1 3HG MET 1 0.128 -8.051 -11.045 7 HE1 MET 1 3HE MET 1 0.127 -12.007 -9.985 8 HE2 MET 1 1HE MET 1 -1.455 -12.342 -10.690 9 HE3 MET 1 2HE MET 1 -0.137 -11.771 -11.714 10 H HIS 2 H HIS 2 0.508 -7.288 -15.603 11 HA HIS 2 HA HIS 2 -0.553 -5.380 -16.241 12 HB2 HIS 2 2HB HIS 2 -2.223 -6.385 -14.520 13 HB3 HIS 2 3HB HIS 2 -1.667 -5.087 -13.467 14 HD1 HIS 2 HD1 HIS 2 -1.432 -3.019 -15.944 15 HD2 HIS 2 HD2 HIS 2 -4.755 -5.239 -14.807 16 HE1 HIS 2 HE1 HIS 2 -3.417 -1.775 -16.859 17 H HIS 3 H HIS 3 1.084 -3.964 -16.586 18 HA HIS 3 HA HIS 3 1.350 -1.731 -14.889 19 HB2 HIS 3 2HB HIS 3 2.724 -3.619 -13.719 20 HB3 HIS 3 3HB HIS 3 3.910 -3.293 -14.979 21 HD1 HIS 3 HD1 HIS 3 3.403 -0.143 -14.974 22 HD2 HIS 3 HD2 HIS 3 4.230 -2.522 -11.670 23 HE1 HIS 3 HE1 HIS 3 4.377 1.411 -13.253 24 H HIS 4 H HIS 4 0.885 -0.833 -16.960 25 HA HIS 4 HA HIS 4 3.258 -0.130 -18.424 26 HB2 HIS 4 2HB HIS 4 2.576 -2.309 -19.454 27 HB3 HIS 4 3HB HIS 4 1.050 -1.561 -19.914 28 HD1 HIS 4 HD1 HIS 4 1.014 -0.480 -22.145 29 HD2 HIS 4 HD2 HIS 4 4.882 -0.927 -20.695 30 HE1 HIS 4 HE1 HIS 4 2.523 0.273 -24.011 31 H HIS 5 H HIS 5 2.553 1.912 -17.571 32 HA HIS 5 HA HIS 5 0.723 3.258 -19.378 33 HB2 HIS 5 2HB HIS 5 -0.113 2.450 -16.783 34 HB3 HIS 5 3HB HIS 5 0.070 4.202 -16.761 35 HD1 HIS 5 HD1 HIS 5 -2.357 4.859 -16.794 36 HD2 HIS 5 HD2 HIS 5 -1.372 2.205 -19.835 37 HE1 HIS 5 HE1 HIS 5 -4.383 4.758 -18.281 38 H HIS 6 H HIS 6 1.257 5.361 -19.726 39 HA HIS 6 HA HIS 6 3.245 6.599 -17.957 40 HB2 HIS 6 2HB HIS 6 4.399 7.479 -20.032 41 HB3 HIS 6 3HB HIS 6 4.594 5.755 -19.730 42 HD1 HIS 6 HD1 HIS 6 3.592 8.114 -22.293 43 HD2 HIS 6 HD2 HIS 6 2.801 4.132 -21.410 44 HE1 HIS 6 HE1 HIS 6 2.662 7.127 -24.411 45 H HIS 7 H HIS 7 2.430 8.447 -17.250 46 HA HIS 7 HA HIS 7 1.301 10.364 -19.085 47 HB2 HIS 7 2HB HIS 7 -0.398 8.736 -17.319 48 HB3 HIS 7 3HB HIS 7 -0.678 10.471 -17.198 49 HD1 HIS 7 HD1 HIS 7 -1.027 11.643 -19.696 50 HD2 HIS 7 HD2 HIS 7 -1.807 7.580 -19.311 51 HE1 HIS 7 HE1 HIS 7 -2.479 11.048 -21.662 52 H GLU 8 H GLU 8 0.376 12.289 -17.608 53 HA GLU 8 HA GLU 8 2.598 12.957 -15.832 54 HB2 GLU 8 2HB GLU 8 0.404 14.795 -16.785 55 HB3 GLU 8 3HB GLU 8 1.959 15.244 -16.100 56 HG2 GLU 8 2HG GLU 8 2.586 15.526 -18.218 57 HG3 GLU 8 3HG GLU 8 2.723 13.769 -18.250 58 H VAL 9 H VAL 9 1.515 14.839 -14.198 59 HA VAL 9 HA VAL 9 0.573 15.014 -12.127 60 HB VAL 9 HB VAL 9 -1.746 13.658 -13.512 61 HG11 VAL 9 1HG1 VAL 9 -2.829 15.327 -11.668 62 HG12 VAL 9 2HG1 VAL 9 -2.555 13.602 -11.415 63 HG13 VAL 9 3HG1 VAL 9 -1.382 14.779 -10.822 64 HG21 VAL 9 3HG2 VAL 9 -2.007 16.498 -13.122 65 HG22 VAL 9 1HG2 VAL 9 -0.551 16.129 -14.046 66 HG23 VAL 9 2HG2 VAL 9 -2.122 15.557 -14.609 67 HA PRO 10 HA PRO 10 1.596 10.627 -11.028 68 HB2 PRO 10 2HB PRO 10 3.480 11.288 -9.189 69 HB3 PRO 10 3HB PRO 10 3.838 11.115 -10.911 70 HG2 PRO 10 2HG PRO 10 3.347 13.602 -9.319 71 HG3 PRO 10 3HG PRO 10 4.575 13.293 -10.561 72 HD2 PRO 10 2HD PRO 10 2.298 14.665 -11.074 73 HD3 PRO 10 3HD PRO 10 3.095 13.648 -12.292 74 H GLN 11 H GLN 11 -0.673 10.967 -10.168 75 HA GLN 11 HA GLN 11 -0.771 10.375 -7.440 76 HB2 GLN 11 2HB GLN 11 -1.986 12.436 -6.649 77 HB3 GLN 11 3HB GLN 11 -0.266 12.648 -6.948 78 HG2 GLN 11 2HG GLN 11 -1.558 13.258 -9.360 79 HG3 GLN 11 3HG GLN 11 -2.492 14.038 -8.084 80 HE21 GLN 11 1HE2 GLN 11 0.594 13.850 -9.676 81 HE22 GLN 11 2HE2 GLN 11 1.237 15.323 -9.043 82 H THR 12 H THR 12 -2.436 11.681 -10.240 83 HA THR 12 HA THR 12 -4.461 9.710 -10.152 84 HB THR 12 HB THR 12 -6.119 11.977 -9.951 85 HG1 THR 12 HG1 THR 12 -5.204 13.184 -8.485 86 HG21 THR 12 3HG2 THR 12 -7.292 10.641 -8.541 87 HG22 THR 12 1HG2 THR 12 -5.867 10.193 -7.606 88 HG23 THR 12 2HG2 THR 12 -6.188 9.410 -9.153 89 H PHE 13 H PHE 13 -4.778 13.138 -11.019 90 HA PHE 13 HA PHE 13 -4.048 12.928 -13.706 91 HB2 PHE 13 2HB PHE 13 -6.380 13.029 -14.712 92 HB3 PHE 13 3HB PHE 13 -5.868 11.458 -14.106 93 HD1 PHE 13 HD2 PHE 13 -8.025 14.365 -13.467 94 HD2 PHE 13 HD1 PHE 13 -6.976 10.416 -12.275 95 HE1 PHE 13 HE2 PHE 13 -10.041 14.257 -12.060 96 HE2 PHE 13 HE1 PHE 13 -8.990 10.302 -10.867 97 HZ PHE 13 HZ PHE 13 -10.525 12.224 -10.757 98 H GLU 14 H GLU 14 -5.314 14.748 -15.036 99 HA GLU 14 HA GLU 14 -5.669 17.061 -13.249 100 HB2 GLU 14 2HB GLU 14 -4.576 18.426 -15.086 101 HB3 GLU 14 3HB GLU 14 -3.510 17.372 -14.167 102 HG2 GLU 14 2HG GLU 14 -3.609 15.716 -15.973 103 HG3 GLU 14 3HG GLU 14 -4.641 16.806 -16.898 104 H VAL 15 H VAL 15 -7.052 18.720 -14.013 105 HA VAL 15 HA VAL 15 -8.906 17.827 -16.125 106 HB VAL 15 HB VAL 15 -9.527 19.629 -13.781 107 HG11 VAL 15 1HG1 VAL 15 -10.979 18.873 -16.217 108 HG12 VAL 15 2HG1 VAL 15 -11.905 18.720 -14.723 109 HG13 VAL 15 3HG1 VAL 15 -11.183 20.269 -15.160 110 HG21 VAL 15 3HG2 VAL 15 -10.126 16.712 -14.249 111 HG22 VAL 15 1HG2 VAL 15 -9.157 17.416 -12.954 112 HG23 VAL 15 2HG2 VAL 15 -10.898 17.691 -13.001 113 H GLU 16 H GLU 16 -9.716 19.356 -17.585 114 HA GLU 16 HA GLU 16 -7.902 21.358 -18.389 115 HB2 GLU 16 2HB GLU 16 -10.375 20.218 -19.353 116 HB3 GLU 16 3HB GLU 16 -10.383 21.964 -19.552 117 HG2 GLU 16 2HG GLU 16 -7.949 20.506 -20.397 118 HG3 GLU 16 3HG GLU 16 -9.398 20.323 -21.384 119 H ARG 17 H ARG 17 -11.296 21.842 -17.406 120 HA ARG 17 HA ARG 17 -10.743 23.807 -15.466 121 HB2 ARG 17 2HB ARG 17 -11.008 25.822 -16.538 122 HB3 ARG 17 3HB ARG 17 -10.185 24.908 -17.794 123 HG2 ARG 17 2HG ARG 17 -13.148 25.407 -17.600 124 HG3 ARG 17 3HG ARG 17 -12.024 26.164 -18.731 125 HD2 ARG 17 2HD ARG 17 -11.545 23.530 -19.188 126 HD3 ARG 17 3HD ARG 17 -13.261 23.499 -18.784 127 HE ARG 17 HE ARG 17 -12.110 24.440 -21.193 128 HH11 ARG 17 1HH1 ARG 17 -14.666 25.110 -18.926 129 HH12 ARG 17 2HH1 ARG 17 -15.687 25.870 -20.102 130 HH21 ARG 17 1HH2 ARG 17 -13.445 25.439 -22.750 131 HH22 ARG 17 2HH2 ARG 17 -14.991 26.056 -22.277 132 H ILE 18 H ILE 18 -12.751 24.983 -14.791 133 HA ILE 18 HA ILE 18 -14.917 23.139 -14.637 134 HB ILE 18 HB ILE 18 -14.905 26.044 -13.811 135 HG12 ILE 18 2HG1 ILE 18 -13.087 24.422 -12.867 136 HG13 ILE 18 3HG1 ILE 18 -13.986 25.453 -11.759 137 HG21 ILE 18 1HG2 ILE 18 -16.632 25.240 -12.186 138 HG22 ILE 18 2HG2 ILE 18 -17.132 25.201 -13.876 139 HG23 ILE 18 3HG2 ILE 18 -16.655 23.710 -13.064 140 HD11 ILE 18 3HD1 ILE 18 -14.864 22.652 -12.345 141 HD12 ILE 18 1HD1 ILE 18 -13.644 23.007 -11.122 142 HD13 ILE 18 2HD1 ILE 18 -15.269 23.678 -10.969 143 H VAL 19 H VAL 19 -16.261 22.781 -16.273 144 HA VAL 19 HA VAL 19 -16.665 24.459 -18.472 145 HB VAL 19 HB VAL 19 -18.669 22.438 -17.475 146 HG11 VAL 19 1HG1 VAL 19 -19.603 22.508 -19.532 147 HG12 VAL 19 2HG1 VAL 19 -18.893 24.124 -19.557 148 HG13 VAL 19 3HG1 VAL 19 -18.061 22.782 -20.343 149 HG21 VAL 19 3HG2 VAL 19 -15.950 22.065 -18.551 150 HG22 VAL 19 1HG2 VAL 19 -16.928 21.004 -17.536 151 HG23 VAL 19 2HG2 VAL 19 -17.206 21.062 -19.277 152 H ARG 20 H ARG 20 -18.810 23.869 -15.685 153 HA ARG 20 HA ARG 20 -19.655 26.593 -15.602 154 HB2 ARG 20 2HB ARG 20 -22.026 26.214 -16.131 155 HB3 ARG 20 3HB ARG 20 -20.992 25.890 -17.516 156 HG2 ARG 20 2HG ARG 20 -21.619 23.575 -15.804 157 HG3 ARG 20 3HG ARG 20 -22.964 24.262 -16.717 158 HD2 ARG 20 2HD ARG 20 -20.810 24.150 -18.502 159 HD3 ARG 20 3HD ARG 20 -20.782 22.621 -17.625 160 HE ARG 20 HE ARG 20 -22.710 22.010 -18.697 161 HH11 ARG 20 1HH1 ARG 20 -22.227 25.437 -19.075 162 HH12 ARG 20 2HH1 ARG 20 -23.521 25.626 -20.212 163 HH21 ARG 20 1HH2 ARG 20 -24.416 22.246 -20.193 164 HH22 ARG 20 2HH2 ARG 20 -24.766 23.811 -20.846 165 H LYS 21 H LYS 21 -21.960 26.473 -14.222 166 HA LYS 21 HA LYS 21 -21.859 24.442 -12.177 167 HB2 LYS 21 2HB LYS 21 -21.352 25.860 -10.323 168 HB3 LYS 21 3HB LYS 21 -20.081 26.090 -11.517 169 HG2 LYS 21 2HG LYS 21 -20.979 28.187 -12.188 170 HG3 LYS 21 3HG LYS 21 -22.446 27.927 -11.242 171 HD2 LYS 21 2HD LYS 21 -20.556 27.670 -9.321 172 HD3 LYS 21 3HD LYS 21 -19.777 28.836 -10.393 173 HE2 LYS 21 2HE LYS 21 -22.519 29.086 -9.160 174 HE3 LYS 21 3HE LYS 21 -21.075 29.978 -8.684 175 HZ1 LYS 21 3HZ LYS 21 -22.601 31.238 -10.146 176 HZ2 LYS 21 1HZ LYS 21 -22.300 30.124 -11.383 177 HZ3 LYS 21 2HZ LYS 21 -21.042 31.081 -10.784 178 H LYS 22 H LYS 22 -23.620 24.651 -10.622 179 HA LYS 22 HA LYS 22 -25.630 26.632 -10.891 180 HB2 LYS 22 2HB LYS 22 -27.349 25.453 -12.018 181 HB3 LYS 22 3HB LYS 22 -25.916 25.295 -13.025 182 HG2 LYS 22 2HG LYS 22 -26.358 23.118 -13.057 183 HG3 LYS 22 3HG LYS 22 -25.774 23.086 -11.391 184 HD2 LYS 22 2HD LYS 22 -27.793 22.367 -10.786 185 HD3 LYS 22 3HD LYS 22 -28.421 23.958 -11.222 186 HE2 LYS 22 2HE LYS 22 -28.747 23.147 -13.536 187 HE3 LYS 22 3HE LYS 22 -28.213 21.547 -13.023 188 HZ1 LYS 22 3HZ LYS 22 -30.707 22.009 -13.110 189 HZ2 LYS 22 1HZ LYS 22 -30.474 22.900 -11.690 190 HZ3 LYS 22 2HZ LYS 22 -30.099 21.251 -11.725 191 H ILE 23 H ILE 23 -27.204 26.470 -9.300 192 HA ILE 23 HA ILE 23 -26.775 24.298 -7.358 193 HB ILE 23 HB ILE 23 -27.256 25.738 -5.602 194 HG12 ILE 23 2HG1 ILE 23 -28.111 28.181 -6.365 195 HG13 ILE 23 3HG1 ILE 23 -28.819 27.207 -7.649 196 HG21 ILE 23 1HG2 ILE 23 -26.089 27.845 -7.343 197 HG22 ILE 23 2HG2 ILE 23 -25.608 27.314 -5.732 198 HG23 ILE 23 3HG2 ILE 23 -25.197 26.338 -7.142 199 HD11 ILE 23 3HD1 ILE 23 -29.788 27.631 -5.044 200 HD12 ILE 23 1HD1 ILE 23 -30.464 26.604 -6.308 201 HD13 ILE 23 2HD1 ILE 23 -29.313 25.936 -5.150 202 H VAL 24 H VAL 24 -28.563 23.343 -6.340 203 HA VAL 24 HA VAL 24 -31.206 23.964 -7.453 204 HB VAL 24 HB VAL 24 -30.683 21.092 -7.049 205 HG11 VAL 24 1HG1 VAL 24 -31.802 22.125 -9.567 206 HG12 VAL 24 2HG1 VAL 24 -32.396 20.857 -8.493 207 HG13 VAL 24 3HG1 VAL 24 -32.695 22.553 -8.108 208 HG21 VAL 24 3HG2 VAL 24 -28.589 21.657 -8.095 209 HG22 VAL 24 1HG2 VAL 24 -29.620 20.856 -9.281 210 HG23 VAL 24 2HG2 VAL 24 -29.416 22.607 -9.329 211 H HIS 25 H HIS 25 -32.662 24.192 -5.895 212 HA HIS 25 HA HIS 25 -33.666 24.159 -3.853 213 HB2 HIS 25 2HB HIS 25 -33.380 21.563 -4.628 214 HB3 HIS 25 3HB HIS 25 -32.562 21.540 -3.069 215 HD1 HIS 25 HD1 HIS 25 -35.908 22.626 -4.511 216 HD2 HIS 25 HD2 HIS 25 -34.243 21.247 -0.963 217 HE1 HIS 25 HE1 HIS 25 -37.845 22.304 -2.939 218 H GLY 26 H GLY 26 -30.814 25.041 -4.112 219 HA2 GLY 26 2HA GLY 26 -29.585 26.190 -2.452 220 HA3 GLY 26 3HA GLY 26 -30.270 25.120 -1.238 221 H ASN 27 H ASN 27 -29.215 23.417 -3.947 222 HA ASN 27 HA ASN 27 -26.729 22.687 -2.548 223 HB2 ASN 27 2HB ASN 27 -28.482 21.046 -4.387 224 HB3 ASN 27 3HB ASN 27 -26.925 20.509 -3.762 225 HD21 ASN 27 1HD2 ASN 27 -28.061 18.741 -2.821 226 HD22 ASN 27 2HD2 ASN 27 -28.918 18.946 -1.335 227 H THR 28 H THR 28 -25.104 23.779 -3.467 228 HA THR 28 HA THR 28 -25.065 24.588 -6.191 229 HB THR 28 HB THR 28 -22.575 24.373 -4.528 230 HG1 THR 28 HG1 THR 28 -23.760 25.415 -3.060 231 HG21 THR 28 3HG2 THR 28 -21.813 26.175 -5.790 232 HG22 THR 28 1HG2 THR 28 -23.443 26.674 -6.244 233 HG23 THR 28 2HG2 THR 28 -22.728 25.233 -6.968 234 H SER 29 H SER 29 -23.851 23.816 -7.915 235 HA SER 29 HA SER 29 -22.409 21.298 -7.574 236 HB2 SER 29 2HB SER 29 -24.523 21.603 -9.712 237 HB3 SER 29 3HB SER 29 -23.615 20.150 -9.298 238 HG SER 29 HG SER 29 -24.677 20.594 -7.101 239 H TYR 30 H TYR 30 -20.582 21.272 -8.716 240 HA TYR 30 HA TYR 30 -20.220 23.337 -10.778 241 HB2 TYR 30 2HB TYR 30 -18.353 22.018 -8.843 242 HB3 TYR 30 3HB TYR 30 -17.715 22.676 -10.346 243 HD1 TYR 30 HD2 TYR 30 -20.303 23.889 -7.933 244 HD2 TYR 30 HD1 TYR 30 -16.624 24.665 -9.926 245 HE1 TYR 30 HE2 TYR 30 -20.230 26.127 -6.916 246 HE2 TYR 30 HE1 TYR 30 -16.541 26.904 -8.913 247 HH TYR 30 HH TYR 30 -19.214 28.145 -6.976 248 H LEU 31 H LEU 31 -20.212 22.687 -12.816 249 HA LEU 31 HA LEU 31 -19.792 19.861 -13.424 250 HB2 LEU 31 2HB LEU 31 -21.780 21.065 -14.302 251 HB3 LEU 31 3HB LEU 31 -20.696 22.093 -15.238 252 HG LEU 31 HG LEU 31 -20.024 20.246 -16.607 253 HD11 LEU 31 1HD1 LEU 31 -21.563 18.079 -16.031 254 HD12 LEU 31 2HD1 LEU 31 -21.170 18.674 -14.418 255 HD13 LEU 31 3HD1 LEU 31 -19.877 18.277 -15.550 256 HD21 LEU 31 3HD2 LEU 31 -22.815 19.524 -16.714 257 HD22 LEU 31 1HD2 LEU 31 -21.845 20.442 -17.866 258 HD23 LEU 31 2HD2 LEU 31 -22.614 21.265 -16.509 259 H VAL 32 H VAL 32 -17.720 19.330 -13.699 260 HA VAL 32 HA VAL 32 -16.036 21.110 -15.339 261 HB VAL 32 HB VAL 32 -15.318 20.809 -12.942 262 HG11 VAL 32 1HG1 VAL 32 -14.246 18.712 -12.319 263 HG12 VAL 32 2HG1 VAL 32 -15.946 18.452 -12.714 264 HG13 VAL 32 3HG1 VAL 32 -14.692 18.009 -13.873 265 HG21 VAL 32 3HG2 VAL 32 -13.523 20.008 -15.218 266 HG22 VAL 32 1HG2 VAL 32 -13.691 21.591 -14.459 267 HG23 VAL 32 2HG2 VAL 32 -12.920 20.270 -13.582 268 H LYS 33 H LYS 33 -14.833 20.236 -16.989 269 HA LYS 33 HA LYS 33 -15.707 17.631 -17.934 270 HB2 LYS 33 2HB LYS 33 -14.509 18.234 -20.004 271 HB3 LYS 33 3HB LYS 33 -15.671 19.466 -19.528 272 HG2 LYS 33 2HG LYS 33 -13.829 20.784 -18.555 273 HG3 LYS 33 3HG LYS 33 -12.687 19.569 -19.135 274 HD2 LYS 33 2HD LYS 33 -12.624 21.198 -20.796 275 HD3 LYS 33 3HD LYS 33 -13.746 20.001 -21.448 276 HE2 LYS 33 2HE LYS 33 -15.632 21.349 -20.651 277 HE3 LYS 33 3HE LYS 33 -14.505 22.544 -20.011 278 HZ1 LYS 33 3HZ LYS 33 -15.411 23.173 -22.182 279 HZ2 LYS 33 1HZ LYS 33 -14.732 21.786 -22.873 280 HZ3 LYS 33 2HZ LYS 33 -13.730 22.989 -22.234 281 H TRP 34 H TRP 34 -13.550 16.772 -19.394 282 HA TRP 34 HA TRP 34 -11.422 16.358 -17.408 283 HB2 TRP 34 2HB TRP 34 -12.205 14.085 -19.178 284 HB3 TRP 34 3HB TRP 34 -11.484 14.059 -17.571 285 HD1 TRP 34 HD1 TRP 34 -13.433 15.297 -15.687 286 HE1 TRP 34 HE1 TRP 34 -15.849 14.463 -15.377 287 HE3 TRP 34 HE3 TRP 34 -14.019 12.836 -20.130 288 HZ2 TRP 34 HZ2 TRP 34 -17.751 12.961 -16.824 289 HZ3 TRP 34 HZ3 TRP 34 -16.167 11.726 -20.589 290 HH2 TRP 34 HH2 TRP 34 -17.992 11.788 -18.969 291 H LYS 35 H LYS 35 -10.052 17.763 -18.504 292 HA LYS 35 HA LYS 35 -8.552 18.457 -20.073 293 HB2 LYS 35 2HB LYS 35 -8.096 15.785 -19.559 294 HB3 LYS 35 3HB LYS 35 -8.172 15.835 -21.315 295 HG2 LYS 35 2HG LYS 35 -6.470 17.642 -21.282 296 HG3 LYS 35 3HG LYS 35 -6.333 17.421 -19.537 297 HD2 LYS 35 2HD LYS 35 -4.935 15.717 -19.829 298 HD3 LYS 35 3HD LYS 35 -6.118 14.880 -20.835 299 HE2 LYS 35 2HE LYS 35 -5.270 16.637 -22.631 300 HE3 LYS 35 3HE LYS 35 -3.829 16.606 -21.617 301 HZ1 LYS 35 3HZ LYS 35 -5.092 14.321 -23.022 302 HZ2 LYS 35 1HZ LYS 35 -3.880 14.136 -21.856 303 HZ3 LYS 35 2HZ LYS 35 -3.554 14.974 -23.289 304 H ASN 36 H ASN 36 -11.306 18.550 -20.853 305 HA ASN 36 HA ASN 36 -12.549 19.049 -22.691 306 HB2 ASN 36 2HB ASN 36 -9.820 19.486 -23.503 307 HB3 ASN 36 3HB ASN 36 -10.753 18.858 -24.859 308 HD21 ASN 36 1HD2 ASN 36 -10.847 21.307 -22.310 309 HD22 ASN 36 2HD2 ASN 36 -11.683 22.497 -23.243 310 H TYR 37 H TYR 37 -12.088 16.284 -21.826 311 HA TYR 37 HA TYR 37 -11.882 14.594 -24.099 312 HB2 TYR 37 2HB TYR 37 -11.402 13.739 -21.878 313 HB3 TYR 37 3HB TYR 37 -13.047 14.084 -21.354 314 HD1 TYR 37 HD1 TYR 37 -14.933 12.737 -22.245 315 HD2 TYR 37 HD2 TYR 37 -10.881 11.754 -23.093 316 HE1 TYR 37 HE1 TYR 37 -15.631 10.482 -22.938 317 HE2 TYR 37 HE2 TYR 37 -11.568 9.498 -23.789 318 HH TYR 37 HH TYR 37 -13.254 8.028 -23.865 319 H SER 38 H SER 38 -14.719 15.234 -22.029 320 HA SER 38 HA SER 38 -16.470 14.470 -24.232 321 HB2 SER 38 2HB SER 38 -18.275 14.719 -22.476 322 HB3 SER 38 3HB SER 38 -17.060 13.490 -22.128 323 HG SER 38 HG SER 38 -16.099 14.875 -20.673 324 H SER 39 H SER 39 -16.133 17.196 -21.961 325 HA SER 39 HA SER 39 -16.426 19.443 -22.284 326 HB2 SER 39 2HB SER 39 -15.953 20.214 -24.341 327 HB3 SER 39 3HB SER 39 -15.899 18.532 -24.869 328 HG SER 39 HG SER 39 -17.611 18.927 -26.000 329 H LYS 40 H LYS 40 -18.809 17.503 -24.079 330 HA LYS 40 HA LYS 40 -20.949 19.298 -23.281 331 HB2 LYS 40 2HB LYS 40 -22.378 17.875 -24.673 332 HB3 LYS 40 3HB LYS 40 -20.947 18.392 -25.555 333 HG2 LYS 40 2HG LYS 40 -21.038 16.186 -26.137 334 HG3 LYS 40 3HG LYS 40 -19.980 16.106 -24.726 335 HD2 LYS 40 2HD LYS 40 -21.396 14.626 -23.852 336 HD3 LYS 40 3HD LYS 40 -22.574 15.932 -23.707 337 HE2 LYS 40 2HE LYS 40 -22.236 14.036 -26.027 338 HE3 LYS 40 3HE LYS 40 -23.576 14.082 -24.883 339 HZ1 LYS 40 3HZ LYS 40 -24.459 15.248 -26.611 340 HZ2 LYS 40 1HZ LYS 40 -22.973 15.883 -27.112 341 HZ3 LYS 40 2HZ LYS 40 -23.754 16.527 -25.757 342 H ASP 41 H ASP 41 -19.662 16.172 -22.435 343 HA ASP 41 HA ASP 41 -21.946 15.491 -20.781 344 HB2 ASP 41 2HB ASP 41 -20.469 13.844 -22.125 345 HB3 ASP 41 3HB ASP 41 -19.325 14.017 -20.797 346 H ASN 42 H ASN 42 -18.455 15.568 -20.057 347 HA ASN 42 HA ASN 42 -17.312 16.151 -18.178 348 HB2 ASN 42 2HB ASN 42 -19.419 18.162 -17.490 349 HB3 ASN 42 3HB ASN 42 -17.666 18.308 -17.405 350 HD21 ASN 42 1HD2 ASN 42 -19.781 19.977 -18.672 351 HD22 ASN 42 2HD2 ASN 42 -19.273 20.167 -20.312 352 H THR 43 H THR 43 -17.765 16.781 -15.684 353 HA THR 43 HA THR 43 -19.787 14.874 -14.701 354 HB THR 43 HB THR 43 -18.073 14.707 -12.697 355 HG1 THR 43 HG1 THR 43 -16.522 16.123 -13.508 356 HG21 THR 43 3HG2 THR 43 -18.609 13.160 -15.038 357 HG22 THR 43 1HG2 THR 43 -18.119 12.607 -13.438 358 HG23 THR 43 2HG2 THR 43 -16.897 13.020 -14.641 359 H TRP 44 H TRP 44 -20.828 15.381 -12.759 360 HA TRP 44 HA TRP 44 -20.708 18.227 -12.056 361 HB2 TRP 44 2HB TRP 44 -22.854 16.135 -11.840 362 HB3 TRP 44 3HB TRP 44 -22.931 17.601 -10.865 363 HD1 TRP 44 HD1 TRP 44 -23.467 16.326 -14.384 364 HE1 TRP 44 HE1 TRP 44 -24.418 18.224 -15.840 365 HE3 TRP 44 HE3 TRP 44 -22.845 20.227 -11.139 366 HZ2 TRP 44 HZ2 TRP 44 -24.847 21.006 -15.640 367 HZ3 TRP 44 HZ3 TRP 44 -23.551 22.475 -11.849 368 HH2 TRP 44 HH2 TRP 44 -24.530 22.855 -14.053 369 H GLU 45 H GLU 45 -19.690 18.787 -10.257 370 HA GLU 45 HA GLU 45 -19.684 16.906 -7.993 371 HB2 GLU 45 2HB GLU 45 -17.374 18.472 -9.128 372 HB3 GLU 45 3HB GLU 45 -17.362 17.854 -7.482 373 HG2 GLU 45 2HG GLU 45 -18.079 15.842 -9.461 374 HG3 GLU 45 3HG GLU 45 -16.473 16.527 -9.703 375 H THR 46 H THR 46 -20.453 17.753 -6.179 376 HA THR 46 HA THR 46 -21.626 20.187 -5.888 377 HB THR 46 HB THR 46 -20.754 19.831 -3.336 378 HG1 THR 46 HG1 THR 46 -20.936 17.187 -4.319 379 HG21 THR 46 3HG2 THR 46 -23.086 19.895 -4.071 380 HG22 THR 46 1HG2 THR 46 -22.807 18.535 -2.984 381 HG23 THR 46 2HG2 THR 46 -22.933 18.263 -4.722 382 H GLU 47 H GLU 47 -21.063 22.175 -4.898 383 HA GLU 47 HA GLU 47 -18.630 23.273 -5.724 384 HB2 GLU 47 2HB GLU 47 -20.386 24.796 -5.399 385 HB3 GLU 47 3HB GLU 47 -20.743 24.181 -3.792 386 HG2 GLU 47 2HG GLU 47 -18.698 25.158 -2.934 387 HG3 GLU 47 3HG GLU 47 -18.272 25.723 -4.548 388 H ASP 48 H ASP 48 -19.447 21.493 -2.895 389 HA ASP 48 HA ASP 48 -17.021 22.347 -1.499 390 HB2 ASP 48 2HB ASP 48 -19.603 21.439 -0.664 391 HB3 ASP 48 3HB ASP 48 -18.387 20.328 -0.041 392 H ASP 49 H ASP 49 -17.780 20.170 -3.803 393 HA ASP 49 HA ASP 49 -15.777 18.235 -2.836 394 HB2 ASP 49 2HB ASP 49 -18.217 17.742 -4.553 395 HB3 ASP 49 3HB ASP 49 -16.944 16.553 -4.290 396 H ILE 50 H ILE 50 -16.458 20.603 -5.078 397 HA ILE 50 HA ILE 50 -14.798 19.422 -7.181 398 HB ILE 50 HB ILE 50 -16.898 20.492 -7.876 399 HG12 ILE 50 2HG1 ILE 50 -15.406 22.430 -9.228 400 HG13 ILE 50 3HG1 ILE 50 -14.246 21.162 -8.847 401 HG21 ILE 50 1HG2 ILE 50 -17.577 22.500 -7.176 402 HG22 ILE 50 2HG2 ILE 50 -16.292 22.383 -5.974 403 HG23 ILE 50 3HG2 ILE 50 -16.005 23.235 -7.491 404 HD11 ILE 50 3HD1 ILE 50 -15.855 19.531 -9.864 405 HD12 ILE 50 1HD1 ILE 50 -16.788 20.918 -10.425 406 HD13 ILE 50 2HD1 ILE 50 -15.131 20.685 -10.984 407 H ARG 51 H ARG 51 -14.838 22.020 -4.829 408 HA ARG 51 HA ARG 51 -12.442 23.262 -5.826 409 HB2 ARG 51 2HB ARG 51 -12.839 24.911 -4.305 410 HB3 ARG 51 3HB ARG 51 -14.455 24.219 -4.357 411 HG2 ARG 51 2HG ARG 51 -12.371 23.432 -2.336 412 HG3 ARG 51 3HG ARG 51 -13.574 24.695 -2.069 413 HD2 ARG 51 2HD ARG 51 -15.363 23.146 -2.217 414 HD3 ARG 51 3HD ARG 51 -14.305 21.882 -2.842 415 HE ARG 51 HE ARG 51 -13.786 21.340 -0.691 416 HH11 ARG 51 1HH1 ARG 51 -15.000 24.602 -0.748 417 HH12 ARG 51 2HH1 ARG 51 -14.980 24.779 0.976 418 HH21 ARG 51 1HH2 ARG 51 -13.755 21.560 1.579 419 HH22 ARG 51 2HH2 ARG 51 -14.270 23.048 2.298 420 H THR 52 H THR 52 -13.160 20.608 -3.820 421 HA THR 52 HA THR 52 -10.659 20.712 -2.347 422 HB THR 52 HB THR 52 -12.655 19.871 -1.202 423 HG1 THR 52 HG1 THR 52 -10.629 19.020 -0.569 424 HG21 THR 52 3HG2 THR 52 -13.344 18.697 -3.528 425 HG22 THR 52 1HG2 THR 52 -13.995 18.210 -1.963 426 HG23 THR 52 2HG2 THR 52 -12.655 17.313 -2.678 427 H LYS 53 H LYS 53 -12.042 19.075 -5.106 428 HA LYS 53 HA LYS 53 -9.631 17.422 -5.376 429 HB2 LYS 53 2HB LYS 53 -12.122 17.222 -7.061 430 HB3 LYS 53 3HB LYS 53 -10.863 16.014 -6.835 431 HG2 LYS 53 2HG LYS 53 -12.892 16.910 -4.801 432 HG3 LYS 53 3HG LYS 53 -12.827 15.352 -5.628 433 HD2 LYS 53 2HD LYS 53 -10.583 14.988 -4.574 434 HD3 LYS 53 3HD LYS 53 -10.860 16.449 -3.623 435 HE2 LYS 53 2HE LYS 53 -11.723 15.003 -2.128 436 HE3 LYS 53 3HE LYS 53 -13.157 15.114 -3.148 437 HZ1 LYS 53 3HZ LYS 53 -12.618 13.106 -4.218 438 HZ2 LYS 53 1HZ LYS 53 -12.388 12.808 -2.568 439 HZ3 LYS 53 2HZ LYS 53 -11.054 13.073 -3.573 440 H TYR 54 H TYR 54 -11.494 19.943 -6.937 441 HA TYR 54 HA TYR 54 -9.321 20.243 -8.903 442 HB2 TYR 54 2HB TYR 54 -12.177 20.987 -9.498 443 HB3 TYR 54 3HB TYR 54 -10.846 20.763 -10.627 444 HD1 TYR 54 HD2 TYR 54 -9.825 18.323 -10.650 445 HD2 TYR 54 HD1 TYR 54 -13.734 19.294 -9.280 446 HE1 TYR 54 HE2 TYR 54 -10.526 15.995 -11.021 447 HE2 TYR 54 HE1 TYR 54 -14.446 16.968 -9.646 448 HH TYR 54 HH TYR 54 -12.786 14.532 -9.758 449 H GLY 55 H GLY 55 -9.642 21.510 -6.306 450 HA2 GLY 55 2HA GLY 55 -10.717 24.056 -6.337 451 HA3 GLY 55 3HA GLY 55 -9.297 23.596 -5.408 452 H ASP 56 H ASP 56 -7.972 22.888 -8.062 453 HA ASP 56 HA ASP 56 -6.498 25.242 -8.379 454 HB2 ASP 56 2HB ASP 56 -6.384 22.623 -9.369 455 HB3 ASP 56 3HB ASP 56 -6.498 23.649 -10.796 456 H LEU 57 H LEU 57 -8.999 23.866 -10.514 457 HA LEU 57 HA LEU 57 -9.090 26.294 -12.086 458 HB2 LEU 57 2HB LEU 57 -11.168 24.903 -13.015 459 HB3 LEU 57 3HB LEU 57 -9.506 24.609 -13.524 460 HG LEU 57 HG LEU 57 -10.571 23.057 -11.217 461 HD11 LEU 57 1HD1 LEU 57 -11.746 23.045 -13.867 462 HD12 LEU 57 2HD1 LEU 57 -12.291 22.263 -12.383 463 HD13 LEU 57 3HD1 LEU 57 -11.100 21.468 -13.413 464 HD21 LEU 57 3HD2 LEU 57 -8.196 23.074 -12.461 465 HD22 LEU 57 1HD2 LEU 57 -9.029 21.860 -13.432 466 HD23 LEU 57 2HD2 LEU 57 -8.874 21.640 -11.689 467 H VAL 58 H VAL 58 -10.996 24.704 -9.608 468 HA VAL 58 HA VAL 58 -13.392 26.056 -9.774 469 HB VAL 58 HB VAL 58 -11.924 25.243 -7.262 470 HG11 VAL 58 1HG1 VAL 58 -13.534 26.504 -6.303 471 HG12 VAL 58 2HG1 VAL 58 -14.577 26.448 -7.726 472 HG13 VAL 58 3HG1 VAL 58 -14.528 25.081 -6.613 473 HG21 VAL 58 3HG2 VAL 58 -14.125 23.562 -7.906 474 HG22 VAL 58 1HG2 VAL 58 -13.105 23.714 -9.336 475 HG23 VAL 58 2HG2 VAL 58 -12.413 23.149 -7.816 476 H ASP 59 H ASP 59 -10.435 27.069 -8.088 477 HA ASP 59 HA ASP 59 -11.594 29.594 -7.310 478 HB2 ASP 59 2HB ASP 59 -8.886 28.330 -6.995 479 HB3 ASP 59 3HB ASP 59 -9.127 30.036 -6.633 480 H ASP 60 H ASP 60 -10.942 28.620 -10.219 481 HA ASP 60 HA ASP 60 -9.737 31.175 -11.059 482 HB2 ASP 60 2HB ASP 60 -8.818 28.516 -11.574 483 HB3 ASP 60 3HB ASP 60 -9.343 29.232 -13.095 484 H PHE 61 H PHE 61 -12.462 29.301 -11.058 485 HA PHE 61 HA PHE 61 -13.457 30.568 -13.526 486 HB2 PHE 61 2HB PHE 61 -13.433 28.247 -13.982 487 HB3 PHE 61 3HB PHE 61 -14.037 27.844 -12.378 488 HD1 PHE 61 HD2 PHE 61 -16.402 28.203 -11.819 489 HD2 PHE 61 HD1 PHE 61 -14.908 28.841 -15.753 490 HE1 PHE 61 HE2 PHE 61 -18.700 28.154 -12.696 491 HE2 PHE 61 HE1 PHE 61 -17.204 28.794 -16.636 492 HZ PHE 61 HZ PHE 61 -19.104 28.449 -15.107 493 H GLU 62 H GLU 62 -14.281 29.460 -10.268 494 HA GLU 62 HA GLU 62 -16.888 30.571 -10.227 495 HB2 GLU 62 2HB GLU 62 -16.934 30.028 -7.930 496 HB3 GLU 62 3HB GLU 62 -15.948 28.783 -8.683 497 HG2 GLU 62 2HG GLU 62 -14.693 29.271 -6.841 498 HG3 GLU 62 3HG GLU 62 -13.973 30.359 -8.027 499 H LYS 63 H LYS 63 -13.719 31.787 -9.277 500 HA LYS 63 HA LYS 63 -14.722 34.205 -8.122 501 HB2 LYS 63 2HB LYS 63 -12.405 34.881 -7.970 502 HB3 LYS 63 3HB LYS 63 -12.548 33.197 -7.483 503 HG2 LYS 63 2HG LYS 63 -10.758 32.969 -8.828 504 HG3 LYS 63 3HG LYS 63 -11.998 32.852 -10.079 505 HD2 LYS 63 2HD LYS 63 -10.338 34.397 -10.835 506 HD3 LYS 63 3HD LYS 63 -11.781 35.321 -10.412 507 HE2 LYS 63 2HE LYS 63 -9.967 34.987 -8.164 508 HE3 LYS 63 3HE LYS 63 -9.205 35.801 -9.530 509 HZ1 LYS 63 3HZ LYS 63 -10.239 37.643 -8.918 510 HZ2 LYS 63 1HZ LYS 63 -11.056 36.835 -7.677 511 HZ3 LYS 63 2HZ LYS 63 -11.733 36.911 -9.225 512 H ASN 64 H ASN 64 -14.211 33.136 -11.303 513 HA ASN 64 HA ASN 64 -13.651 35.701 -12.471 514 HB2 ASN 64 2HB ASN 64 -14.367 33.001 -13.599 515 HB3 ASN 64 3HB ASN 64 -14.244 34.425 -14.627 516 HD21 ASN 64 1HD2 ASN 64 -12.307 33.538 -11.815 517 HD22 ASN 64 2HD2 ASN 64 -10.803 33.440 -12.660 518 H GLN 65 H GLN 65 -16.500 33.639 -12.096 519 HA GLN 65 HA GLN 65 -18.162 35.845 -13.114 520 HB2 GLN 65 2HB GLN 65 -19.868 34.193 -13.611 521 HB3 GLN 65 3HB GLN 65 -18.350 33.727 -14.367 522 HG2 GLN 65 2HG GLN 65 -18.018 32.306 -12.223 523 HG3 GLN 65 3HG GLN 65 -19.761 32.499 -12.044 524 HE21 GLN 65 1HE2 GLN 65 -20.497 30.525 -12.515 525 HE22 GLN 65 2HE2 GLN 65 -20.214 29.689 -14.001 526 H LYS 66 H LYS 66 -17.027 35.057 -10.318 527 HA LYS 66 HA LYS 66 -19.065 34.374 -8.581 528 HB2 LYS 66 2HB LYS 66 -17.775 35.712 -6.872 529 HB3 LYS 66 3HB LYS 66 -16.842 34.502 -7.743 530 HG2 LYS 66 2HG LYS 66 -15.409 36.284 -7.791 531 HG3 LYS 66 3HG LYS 66 -16.266 36.505 -9.319 532 HD2 LYS 66 2HD LYS 66 -17.171 38.440 -8.648 533 HD3 LYS 66 3HD LYS 66 -17.600 37.787 -7.066 534 HE2 LYS 66 2HE LYS 66 -15.394 38.197 -6.229 535 HE3 LYS 66 3HE LYS 66 -14.813 38.638 -7.834 536 HZ1 LYS 66 3HZ LYS 66 -16.686 40.424 -7.635 537 HZ2 LYS 66 1HZ LYS 66 -15.173 40.684 -6.922 538 HZ3 LYS 66 2HZ LYS 66 -16.479 40.176 -5.975 539 H LYS 67 H LYS 67 -18.476 37.392 -10.212 540 HA LYS 67 HA LYS 67 -20.340 38.886 -8.588 541 HB2 LYS 67 2HB LYS 67 -18.304 39.491 -10.505 542 HB3 LYS 67 3HB LYS 67 -19.808 40.238 -11.028 543 HG2 LYS 67 2HG LYS 67 -18.611 40.567 -8.286 544 HG3 LYS 67 3HG LYS 67 -18.395 41.703 -9.619 545 HD2 LYS 67 2HD LYS 67 -20.244 42.716 -8.887 546 HD3 LYS 67 3HD LYS 67 -21.135 41.324 -9.506 547 HE2 LYS 67 2HE LYS 67 -21.379 40.385 -7.428 548 HE3 LYS 67 3HE LYS 67 -19.917 41.142 -6.796 549 HZ1 LYS 67 3HZ LYS 67 -22.625 42.095 -6.772 550 HZ2 LYS 67 1HZ LYS 67 -21.528 43.252 -7.338 551 HZ3 LYS 67 2HZ LYS 67 -21.309 42.555 -5.813 Start of MODEL 14 1 H1 MET 1 H MET 1 0.533 -3.241 -23.981 2 HA MET 1 HA MET 1 2.576 -2.162 -24.756 3 HB2 MET 1 2HB MET 1 1.123 -1.887 -27.387 4 HB3 MET 1 3HB MET 1 2.801 -1.487 -27.044 5 HG2 MET 1 2HG MET 1 3.268 -3.482 -27.905 6 HG3 MET 1 3HG MET 1 2.697 -4.127 -26.368 7 HE1 MET 1 3HE MET 1 1.072 -4.230 -30.476 8 HE2 MET 1 1HE MET 1 0.111 -2.978 -29.690 9 HE3 MET 1 2HE MET 1 1.871 -2.861 -29.702 10 H HIS 2 H HIS 2 1.916 -0.663 -23.228 11 HA HIS 2 HA HIS 2 0.722 1.743 -24.318 12 HB2 HIS 2 2HB HIS 2 -0.877 1.894 -22.354 13 HB3 HIS 2 3HB HIS 2 -1.292 0.709 -23.589 14 HD1 HIS 2 HD1 HIS 2 -0.717 -1.838 -22.963 15 HD2 HIS 2 HD2 HIS 2 -0.619 0.887 -19.828 16 HE1 HIS 2 HE1 HIS 2 -0.806 -3.223 -20.866 17 H HIS 3 H HIS 3 2.311 3.121 -23.842 18 HA HIS 3 HA HIS 3 3.235 3.239 -21.049 19 HB2 HIS 3 2HB HIS 3 4.794 2.710 -23.392 20 HB3 HIS 3 3HB HIS 3 5.281 4.266 -22.726 21 HD1 HIS 3 HD1 HIS 3 6.122 4.226 -20.197 22 HD2 HIS 3 HD2 HIS 3 5.702 0.517 -22.020 23 HE1 HIS 3 HE1 HIS 3 7.404 2.617 -18.750 24 H HIS 4 H HIS 4 2.342 5.029 -20.248 25 HA HIS 4 HA HIS 4 2.960 7.577 -21.460 26 HB2 HIS 4 2HB HIS 4 0.403 6.359 -21.896 27 HB3 HIS 4 3HB HIS 4 0.193 7.785 -20.885 28 HD1 HIS 4 HD1 HIS 4 0.945 6.723 -24.342 29 HD2 HIS 4 HD2 HIS 4 0.990 10.234 -22.121 30 HE1 HIS 4 HE1 HIS 4 1.100 8.583 -26.027 31 H HIS 5 H HIS 5 3.650 8.786 -19.836 32 HA HIS 5 HA HIS 5 2.117 9.249 -17.493 33 HB2 HIS 5 2HB HIS 5 3.271 6.940 -17.136 34 HB3 HIS 5 3HB HIS 5 4.726 7.897 -16.881 35 HD1 HIS 5 HD1 HIS 5 5.091 7.855 -14.430 36 HD2 HIS 5 HD2 HIS 5 1.114 8.569 -15.398 37 HE1 HIS 5 HE1 HIS 5 3.938 8.312 -12.242 38 H HIS 6 H HIS 6 2.514 11.289 -16.968 39 HA HIS 6 HA HIS 6 5.220 12.361 -17.420 40 HB2 HIS 6 2HB HIS 6 3.138 13.083 -18.954 41 HB3 HIS 6 3HB HIS 6 2.911 14.218 -17.627 42 HD1 HIS 6 HD1 HIS 6 5.888 14.854 -17.047 43 HD2 HIS 6 HD2 HIS 6 4.188 14.758 -20.837 44 HE1 HIS 6 HE1 HIS 6 7.366 16.295 -18.484 45 H HIS 7 H HIS 7 2.159 12.859 -15.680 46 HA HIS 7 HA HIS 7 3.674 14.150 -13.515 47 HB2 HIS 7 2HB HIS 7 0.992 14.561 -14.649 48 HB3 HIS 7 3HB HIS 7 1.040 14.555 -12.888 49 HD1 HIS 7 HD1 HIS 7 1.762 16.644 -15.806 50 HD2 HIS 7 HD2 HIS 7 2.787 16.586 -11.780 51 HE1 HIS 7 HE1 HIS 7 2.672 18.936 -15.310 52 H GLU 8 H GLU 8 2.749 13.741 -11.285 53 HA GLU 8 HA GLU 8 2.533 10.864 -10.925 54 HB2 GLU 8 2HB GLU 8 2.711 13.025 -8.821 55 HB3 GLU 8 3HB GLU 8 2.948 11.300 -8.581 56 HG2 GLU 8 2HG GLU 8 4.799 11.781 -10.479 57 HG3 GLU 8 3HG GLU 8 4.782 13.334 -9.645 58 H VAL 9 H VAL 9 0.285 11.474 -12.092 59 HA VAL 9 HA VAL 9 -1.724 11.832 -9.967 60 HB VAL 9 HB VAL 9 -2.049 12.210 -12.948 61 HG11 VAL 9 1HG1 VAL 9 -4.089 11.410 -11.834 62 HG12 VAL 9 2HG1 VAL 9 -3.989 12.762 -10.704 63 HG13 VAL 9 3HG1 VAL 9 -4.259 13.064 -12.421 64 HG21 VAL 9 3HG2 VAL 9 -2.517 14.626 -12.025 65 HG22 VAL 9 1HG2 VAL 9 -1.498 14.078 -10.694 66 HG23 VAL 9 2HG2 VAL 9 -0.869 14.083 -12.342 67 HA PRO 10 HA PRO 10 -1.987 7.367 -11.076 68 HB2 PRO 10 2HB PRO 10 -2.571 6.558 -8.551 69 HB3 PRO 10 3HB PRO 10 -0.917 6.804 -9.122 70 HG2 PRO 10 2HG PRO 10 -2.650 8.624 -7.495 71 HG3 PRO 10 3HG PRO 10 -0.931 8.237 -7.291 72 HD2 PRO 10 2HD PRO 10 -1.780 10.523 -8.469 73 HD3 PRO 10 3HD PRO 10 -0.275 9.708 -8.940 74 H GLN 11 H GLN 11 -3.967 8.704 -12.050 75 HA GLN 11 HA GLN 11 -6.202 8.703 -12.469 76 HB2 GLN 11 2HB GLN 11 -5.647 6.170 -11.240 77 HB3 GLN 11 3HB GLN 11 -7.229 6.733 -10.719 78 HG2 GLN 11 2HG GLN 11 -7.887 5.687 -12.597 79 HG3 GLN 11 3HG GLN 11 -7.443 7.226 -13.334 80 HE21 GLN 11 1HE2 GLN 11 -4.774 7.148 -13.465 81 HE22 GLN 11 2HE2 GLN 11 -4.240 5.836 -14.454 82 H THR 12 H THR 12 -4.936 10.002 -9.982 83 HA THR 12 HA THR 12 -6.991 10.134 -8.018 84 HB THR 12 HB THR 12 -4.687 12.023 -8.536 85 HG1 THR 12 HG1 THR 12 -4.448 9.646 -7.826 86 HG21 THR 12 3HG2 THR 12 -6.788 11.921 -6.420 87 HG22 THR 12 1HG2 THR 12 -6.053 13.316 -7.208 88 HG23 THR 12 2HG2 THR 12 -5.157 12.424 -5.979 89 H PHE 13 H PHE 13 -5.756 12.879 -9.911 90 HA PHE 13 HA PHE 13 -8.316 14.192 -9.754 91 HB2 PHE 13 2HB PHE 13 -5.607 14.969 -10.248 92 HB3 PHE 13 3HB PHE 13 -6.608 15.542 -11.578 93 HD1 PHE 13 HD1 PHE 13 -8.540 17.030 -11.108 94 HD2 PHE 13 HD2 PHE 13 -5.712 15.964 -8.111 95 HE1 PHE 13 HE1 PHE 13 -9.299 18.918 -9.725 96 HE2 PHE 13 HE2 PHE 13 -6.467 17.850 -6.723 97 HZ PHE 13 HZ PHE 13 -8.264 19.330 -7.529 98 H GLU 14 H GLU 14 -6.255 13.810 -12.623 99 HA GLU 14 HA GLU 14 -6.735 13.306 -14.788 100 HB2 GLU 14 2HB GLU 14 -7.852 11.295 -13.287 101 HB3 GLU 14 3HB GLU 14 -9.217 11.837 -14.253 102 HG2 GLU 14 2HG GLU 14 -8.010 11.431 -16.287 103 HG3 GLU 14 3HG GLU 14 -6.545 11.046 -15.386 104 H VAL 15 H VAL 15 -7.925 15.666 -13.515 105 HA VAL 15 HA VAL 15 -10.270 16.011 -15.269 106 HB VAL 15 HB VAL 15 -9.824 17.791 -12.912 107 HG11 VAL 15 1HG1 VAL 15 -11.748 18.601 -13.671 108 HG12 VAL 15 2HG1 VAL 15 -11.874 17.306 -14.863 109 HG13 VAL 15 3HG1 VAL 15 -12.514 17.074 -13.236 110 HG21 VAL 15 3HG2 VAL 15 -11.156 16.262 -11.507 111 HG22 VAL 15 1HG2 VAL 15 -11.064 15.045 -12.780 112 HG23 VAL 15 2HG2 VAL 15 -9.596 15.576 -11.959 113 H GLU 16 H GLU 16 -10.456 17.917 -16.447 114 HA GLU 16 HA GLU 16 -7.929 19.252 -16.976 115 HB2 GLU 16 2HB GLU 16 -10.346 18.687 -18.463 116 HB3 GLU 16 3HB GLU 16 -9.916 20.387 -18.592 117 HG2 GLU 16 2HG GLU 16 -7.684 18.519 -18.950 118 HG3 GLU 16 3HG GLU 16 -8.944 18.424 -20.178 119 H ARG 17 H ARG 17 -11.289 20.346 -16.467 120 HA ARG 17 HA ARG 17 -10.641 22.226 -14.477 121 HB2 ARG 17 2HB ARG 17 -10.467 24.247 -15.567 122 HB3 ARG 17 3HB ARG 17 -9.642 23.192 -16.707 123 HG2 ARG 17 2HG ARG 17 -12.492 24.145 -16.897 124 HG3 ARG 17 3HG ARG 17 -11.129 24.697 -17.873 125 HD2 ARG 17 2HD ARG 17 -10.992 22.031 -18.290 126 HD3 ARG 17 3HD ARG 17 -12.729 22.230 -18.064 127 HE ARG 17 HE ARG 17 -11.225 22.987 -20.340 128 HH11 ARG 17 1HH1 ARG 17 -13.892 24.003 -18.347 129 HH12 ARG 17 2HH1 ARG 17 -14.681 24.875 -19.620 130 HH21 ARG 17 1HH2 ARG 17 -12.253 24.132 -22.024 131 HH22 ARG 17 2HH2 ARG 17 -13.748 24.947 -21.711 132 H ILE 18 H ILE 18 -12.496 23.782 -14.096 133 HA ILE 18 HA ILE 18 -14.928 22.316 -14.093 134 HB ILE 18 HB ILE 18 -14.556 25.252 -13.494 135 HG12 ILE 18 2HG1 ILE 18 -13.075 23.613 -12.203 136 HG13 ILE 18 3HG1 ILE 18 -14.085 24.692 -11.246 137 HG21 ILE 18 1HG2 ILE 18 -16.551 24.865 -12.035 138 HG22 ILE 18 2HG2 ILE 18 -16.866 24.732 -13.765 139 HG23 ILE 18 3HG2 ILE 18 -16.713 23.276 -12.782 140 HD11 ILE 18 3HD1 ILE 18 -15.340 22.133 -11.893 141 HD12 ILE 18 1HD1 ILE 18 -13.891 22.009 -10.896 142 HD13 ILE 18 2HD1 ILE 18 -15.246 23.003 -10.362 143 H VAL 19 H VAL 19 -16.127 22.008 -15.847 144 HA VAL 19 HA VAL 19 -16.023 23.551 -18.189 145 HB VAL 19 HB VAL 19 -18.403 21.893 -17.378 146 HG11 VAL 19 1HG1 VAL 19 -17.230 21.973 -20.111 147 HG12 VAL 19 2HG1 VAL 19 -18.908 21.768 -19.606 148 HG13 VAL 19 3HG1 VAL 19 -18.158 23.364 -19.552 149 HG21 VAL 19 3HG2 VAL 19 -15.650 21.050 -17.734 150 HG22 VAL 19 1HG2 VAL 19 -17.039 20.146 -17.131 151 HG23 VAL 19 2HG2 VAL 19 -16.741 20.252 -18.866 152 H ARG 20 H ARG 20 -18.516 23.438 -15.644 153 HA ARG 20 HA ARG 20 -19.029 26.238 -15.860 154 HB2 ARG 20 2HB ARG 20 -21.454 25.940 -16.517 155 HB3 ARG 20 3HB ARG 20 -20.279 25.706 -17.804 156 HG2 ARG 20 2HG ARG 20 -20.905 23.237 -16.410 157 HG3 ARG 20 3HG ARG 20 -22.325 23.995 -17.133 158 HD2 ARG 20 2HD ARG 20 -20.109 24.106 -18.955 159 HD3 ARG 20 3HD ARG 20 -20.360 22.448 -18.410 160 HE ARG 20 HE ARG 20 -22.850 23.215 -19.051 161 HH11 ARG 20 1HH1 ARG 20 -19.824 23.452 -20.756 162 HH12 ARG 20 2HH1 ARG 20 -20.550 23.345 -22.325 163 HH21 ARG 20 1HH2 ARG 20 -23.818 23.074 -21.112 164 HH22 ARG 20 2HH2 ARG 20 -22.822 23.132 -22.527 165 H LYS 21 H LYS 21 -21.405 26.550 -14.705 166 HA LYS 21 HA LYS 21 -21.730 24.698 -12.498 167 HB2 LYS 21 2HB LYS 21 -21.318 26.278 -10.749 168 HB3 LYS 21 3HB LYS 21 -19.907 26.273 -11.800 169 HG2 LYS 21 2HG LYS 21 -20.470 28.352 -12.742 170 HG3 LYS 21 3HG LYS 21 -22.107 28.295 -12.086 171 HD2 LYS 21 2HD LYS 21 -20.601 28.103 -9.823 172 HD3 LYS 21 3HD LYS 21 -19.596 29.148 -10.830 173 HE2 LYS 21 2HE LYS 21 -21.839 30.408 -11.261 174 HE3 LYS 21 3HE LYS 21 -22.357 29.603 -9.781 175 HZ1 LYS 21 3HZ LYS 21 -21.084 31.947 -9.837 176 HZ2 LYS 21 1HZ LYS 21 -19.771 30.899 -9.643 177 HZ3 LYS 21 2HZ LYS 21 -21.037 30.885 -8.522 178 H LYS 22 H LYS 22 -23.637 25.142 -11.217 179 HA LYS 22 HA LYS 22 -25.439 27.234 -11.849 180 HB2 LYS 22 2HB LYS 22 -27.107 26.102 -13.105 181 HB3 LYS 22 3HB LYS 22 -25.581 25.796 -13.925 182 HG2 LYS 22 2HG LYS 22 -26.093 23.643 -13.874 183 HG3 LYS 22 3HG LYS 22 -25.841 23.693 -12.128 184 HD2 LYS 22 2HD LYS 22 -27.979 23.086 -11.927 185 HD3 LYS 22 3HD LYS 22 -28.394 24.716 -12.464 186 HE2 LYS 22 2HE LYS 22 -28.138 23.743 -14.844 187 HE3 LYS 22 3HE LYS 22 -28.272 22.175 -14.050 188 HZ1 LYS 22 3HZ LYS 22 -30.374 23.460 -14.927 189 HZ2 LYS 22 1HZ LYS 22 -30.280 24.203 -13.411 190 HZ3 LYS 22 2HZ LYS 22 -30.439 22.523 -13.520 191 H ILE 23 H ILE 23 -27.184 27.300 -10.446 192 HA ILE 23 HA ILE 23 -27.173 25.224 -8.357 193 HB ILE 23 HB ILE 23 -27.742 26.807 -6.751 194 HG12 ILE 23 2HG1 ILE 23 -28.253 29.263 -7.749 195 HG13 ILE 23 3HG1 ILE 23 -28.889 28.272 -9.058 196 HG21 ILE 23 1HG2 ILE 23 -25.462 27.128 -8.068 197 HG22 ILE 23 2HG2 ILE 23 -26.176 28.703 -8.409 198 HG23 ILE 23 3HG2 ILE 23 -25.932 28.188 -6.740 199 HD11 ILE 23 3HD1 ILE 23 -30.736 27.905 -7.908 200 HD12 ILE 23 1HD1 ILE 23 -29.806 27.222 -6.575 201 HD13 ILE 23 2HD1 ILE 23 -30.127 28.956 -6.630 202 H VAL 24 H VAL 24 -29.152 24.503 -7.494 203 HA VAL 24 HA VAL 24 -31.577 25.247 -8.968 204 HB VAL 24 HB VAL 24 -31.374 22.383 -8.309 205 HG11 VAL 24 1HG1 VAL 24 -33.098 23.910 -9.712 206 HG12 VAL 24 2HG1 VAL 24 -32.067 23.316 -11.015 207 HG13 VAL 24 3HG1 VAL 24 -32.899 22.176 -9.957 208 HG21 VAL 24 3HG2 VAL 24 -30.066 21.883 -10.360 209 HG22 VAL 24 1HG2 VAL 24 -29.693 23.602 -10.495 210 HG23 VAL 24 2HG2 VAL 24 -29.122 22.682 -9.102 211 H HIS 25 H HIS 25 -33.191 25.701 -7.629 212 HA HIS 25 HA HIS 25 -34.425 25.915 -5.728 213 HB2 HIS 25 2HB HIS 25 -34.349 23.278 -6.301 214 HB3 HIS 25 3HB HIS 25 -33.633 23.255 -4.692 215 HD1 HIS 25 HD1 HIS 25 -36.839 23.475 -6.437 216 HD2 HIS 25 HD2 HIS 25 -35.380 24.350 -2.647 217 HE1 HIS 25 HE1 HIS 25 -38.870 23.704 -4.971 218 H GLY 26 H GLY 26 -31.507 26.556 -5.682 219 HA2 GLY 26 2HA GLY 26 -30.366 27.708 -3.970 220 HA3 GLY 26 3HA GLY 26 -31.305 26.820 -2.778 221 H ASN 27 H ASN 27 -30.020 24.877 -5.257 222 HA ASN 27 HA ASN 27 -27.841 24.020 -3.467 223 HB2 ASN 27 2HB ASN 27 -29.395 22.337 -5.445 224 HB3 ASN 27 3HB ASN 27 -28.114 21.764 -4.381 225 HD21 ASN 27 1HD2 ASN 27 -30.721 20.722 -4.465 226 HD22 ASN 27 2HD2 ASN 27 -31.470 21.025 -2.937 227 H THR 28 H THR 28 -26.017 24.873 -4.253 228 HA THR 28 HA THR 28 -25.566 25.454 -6.991 229 HB THR 28 HB THR 28 -23.309 25.084 -5.052 230 HG1 THR 28 HG1 THR 28 -24.465 26.337 -3.753 231 HG21 THR 28 3HG2 THR 28 -23.777 27.341 -6.978 232 HG22 THR 28 1HG2 THR 28 -23.080 25.811 -7.508 233 HG23 THR 28 2HG2 THR 28 -22.257 26.778 -6.284 234 H SER 29 H SER 29 -24.316 24.415 -8.523 235 HA SER 29 HA SER 29 -23.185 21.803 -7.863 236 HB2 SER 29 2HB SER 29 -25.179 22.217 -10.104 237 HB3 SER 29 3HB SER 29 -24.303 20.724 -9.770 238 HG SER 29 HG SER 29 -26.502 21.802 -8.513 239 H TYR 30 H TYR 30 -21.257 21.549 -8.777 240 HA TYR 30 HA TYR 30 -20.500 23.378 -10.950 241 HB2 TYR 30 2HB TYR 30 -18.963 22.042 -8.752 242 HB3 TYR 30 3HB TYR 30 -18.128 22.527 -10.224 243 HD1 TYR 30 HD1 TYR 30 -20.786 24.136 -8.138 244 HD2 TYR 30 HD2 TYR 30 -16.903 24.444 -9.852 245 HE1 TYR 30 HE1 TYR 30 -20.588 26.426 -7.264 246 HE2 TYR 30 HE2 TYR 30 -16.695 26.735 -8.981 247 HH TYR 30 HH TYR 30 -18.820 28.025 -6.673 248 H LEU 31 H LEU 31 -20.558 22.519 -12.910 249 HA LEU 31 HA LEU 31 -20.308 19.643 -13.267 250 HB2 LEU 31 2HB LEU 31 -22.094 20.670 -14.460 251 HB3 LEU 31 3HB LEU 31 -21.020 21.895 -15.131 252 HG LEU 31 HG LEU 31 -19.877 20.044 -16.399 253 HD11 LEU 31 1HD1 LEU 31 -21.534 18.444 -14.769 254 HD12 LEU 31 2HD1 LEU 31 -20.405 17.927 -16.021 255 HD13 LEU 31 3HD1 LEU 31 -22.089 18.248 -16.432 256 HD21 LEU 31 3HD2 LEU 31 -22.162 21.506 -16.968 257 HD22 LEU 31 1HD2 LEU 31 -22.574 19.856 -17.436 258 HD23 LEU 31 2HD2 LEU 31 -21.151 20.638 -18.125 259 H VAL 32 H VAL 32 -18.306 18.862 -13.373 260 HA VAL 32 HA VAL 32 -16.293 20.371 -14.910 261 HB VAL 32 HB VAL 32 -15.800 20.047 -12.470 262 HG11 VAL 32 1HG1 VAL 32 -14.867 17.333 -12.713 263 HG12 VAL 32 2HG1 VAL 32 -15.926 18.051 -11.498 264 HG13 VAL 32 3HG1 VAL 32 -16.604 17.426 -13.002 265 HG21 VAL 32 3HG2 VAL 32 -13.465 19.223 -12.866 266 HG22 VAL 32 1HG2 VAL 32 -13.947 18.851 -14.521 267 HG23 VAL 32 2HG2 VAL 32 -13.985 20.517 -13.944 268 H LYS 33 H LYS 33 -14.995 19.281 -16.379 269 HA LYS 33 HA LYS 33 -16.155 16.841 -17.444 270 HB2 LYS 33 2HB LYS 33 -14.600 17.201 -19.328 271 HB3 LYS 33 3HB LYS 33 -15.604 18.610 -19.011 272 HG2 LYS 33 2HG LYS 33 -13.480 19.249 -17.516 273 HG3 LYS 33 3HG LYS 33 -12.687 18.257 -18.742 274 HD2 LYS 33 2HD LYS 33 -14.444 20.657 -19.250 275 HD3 LYS 33 3HD LYS 33 -12.686 20.600 -19.403 276 HE2 LYS 33 2HE LYS 33 -12.817 19.739 -21.453 277 HE3 LYS 33 3HE LYS 33 -13.945 18.491 -20.926 278 HZ1 LYS 33 3HZ LYS 33 -14.755 21.281 -21.522 279 HZ2 LYS 33 1HZ LYS 33 -15.767 19.951 -21.257 280 HZ3 LYS 33 2HZ LYS 33 -14.821 20.027 -22.656 281 H TRP 34 H TRP 34 -13.946 15.661 -18.625 282 HA TRP 34 HA TRP 34 -12.254 14.881 -16.349 283 HB2 TRP 34 2HB TRP 34 -13.510 12.976 -18.337 284 HB3 TRP 34 3HB TRP 34 -12.413 12.533 -17.032 285 HD1 TRP 34 HD1 TRP 34 -13.788 14.299 -14.725 286 HE1 TRP 34 HE1 TRP 34 -16.048 13.534 -13.761 287 HE3 TRP 34 HE3 TRP 34 -15.347 11.321 -18.577 288 HZ2 TRP 34 HZ2 TRP 34 -18.207 11.886 -14.531 289 HZ3 TRP 34 HZ3 TRP 34 -17.522 10.186 -18.385 290 HH2 TRP 34 HH2 TRP 34 -18.920 10.464 -16.403 291 H LYS 35 H LYS 35 -10.621 16.216 -17.254 292 HA LYS 35 HA LYS 35 -8.801 16.692 -18.537 293 HB2 LYS 35 2HB LYS 35 -8.584 14.117 -17.835 294 HB3 LYS 35 3HB LYS 35 -8.666 13.910 -19.580 295 HG2 LYS 35 2HG LYS 35 -6.591 14.672 -19.883 296 HG3 LYS 35 3HG LYS 35 -6.811 16.001 -18.742 297 HD2 LYS 35 2HD LYS 35 -6.066 14.774 -16.959 298 HD3 LYS 35 3HD LYS 35 -6.596 13.241 -17.654 299 HE2 LYS 35 2HE LYS 35 -4.724 13.838 -19.436 300 HE3 LYS 35 3HE LYS 35 -4.077 14.759 -18.079 301 HZ1 LYS 35 3HZ LYS 35 -3.921 11.997 -18.542 302 HZ2 LYS 35 1HZ LYS 35 -4.816 12.243 -17.127 303 HZ3 LYS 35 2HZ LYS 35 -3.258 12.888 -17.266 304 H ASN 36 H ASN 36 -11.349 17.082 -19.765 305 HA ASN 36 HA ASN 36 -12.209 17.675 -21.786 306 HB2 ASN 36 2HB ASN 36 -9.351 17.770 -22.140 307 HB3 ASN 36 3HB ASN 36 -10.121 17.228 -23.628 308 HD21 ASN 36 1HD2 ASN 36 -10.129 19.766 -21.193 309 HD22 ASN 36 2HD2 ASN 36 -10.732 21.010 -22.229 310 H TYR 37 H TYR 37 -11.689 14.737 -20.869 311 HA TYR 37 HA TYR 37 -11.845 13.303 -23.377 312 HB2 TYR 37 2HB TYR 37 -10.642 12.367 -21.417 313 HB3 TYR 37 3HB TYR 37 -12.172 12.274 -20.550 314 HD1 TYR 37 HD2 TYR 37 -13.985 10.762 -21.460 315 HD2 TYR 37 HD1 TYR 37 -9.979 10.653 -22.891 316 HE1 TYR 37 HE2 TYR 37 -14.389 8.527 -22.404 317 HE2 TYR 37 HE1 TYR 37 -10.373 8.419 -23.841 318 HH TYR 37 HH TYR 37 -13.429 7.104 -24.239 319 H SER 38 H SER 38 -14.003 14.534 -20.955 320 HA SER 38 HA SER 38 -16.273 13.492 -22.506 321 HB2 SER 38 2HB SER 38 -15.750 13.227 -19.581 322 HB3 SER 38 3HB SER 38 -17.414 13.496 -20.101 323 HG SER 38 HG SER 38 -17.157 11.326 -20.135 324 H SER 39 H SER 39 -15.535 15.872 -23.192 325 HA SER 39 HA SER 39 -16.153 18.108 -21.709 326 HB2 SER 39 2HB SER 39 -16.737 19.149 -23.989 327 HB3 SER 39 3HB SER 39 -15.118 18.477 -23.796 328 HG SER 39 HG SER 39 -15.812 17.628 -25.671 329 H LYS 40 H LYS 40 -18.308 15.869 -23.296 330 HA LYS 40 HA LYS 40 -20.614 17.521 -22.517 331 HB2 LYS 40 2HB LYS 40 -20.511 15.193 -24.444 332 HB3 LYS 40 3HB LYS 40 -21.915 16.198 -24.108 333 HG2 LYS 40 2HG LYS 40 -21.169 17.123 -26.062 334 HG3 LYS 40 3HG LYS 40 -20.343 18.138 -24.877 335 HD2 LYS 40 2HD LYS 40 -18.453 17.623 -25.948 336 HD3 LYS 40 3HD LYS 40 -18.612 16.012 -25.244 337 HE2 LYS 40 2HE LYS 40 -19.939 15.332 -27.223 338 HE3 LYS 40 3HE LYS 40 -19.640 16.919 -27.931 339 HZ1 LYS 40 3HZ LYS 40 -17.984 15.661 -28.866 340 HZ2 LYS 40 1HZ LYS 40 -17.763 14.700 -27.491 341 HZ3 LYS 40 2HZ LYS 40 -17.174 16.285 -27.519 342 H ASP 41 H ASP 41 -18.991 14.514 -21.977 343 HA ASP 41 HA ASP 41 -21.228 13.358 -20.525 344 HB2 ASP 41 2HB ASP 41 -18.646 12.401 -21.571 345 HB3 ASP 41 3HB ASP 41 -19.119 11.698 -20.027 346 H ASN 42 H ASN 42 -19.352 15.781 -19.769 347 HA ASN 42 HA ASN 42 -17.938 15.254 -17.472 348 HB2 ASN 42 2HB ASN 42 -18.614 17.631 -16.790 349 HB3 ASN 42 3HB ASN 42 -17.794 17.444 -18.337 350 HD21 ASN 42 1HD2 ASN 42 -18.658 19.390 -19.076 351 HD22 ASN 42 2HD2 ASN 42 -20.311 19.527 -19.561 352 H THR 43 H THR 43 -18.505 15.743 -15.203 353 HA THR 43 HA THR 43 -21.222 14.786 -14.582 354 HB THR 43 HB THR 43 -19.628 13.161 -13.839 355 HG1 THR 43 HG1 THR 43 -20.117 13.174 -11.624 356 HG21 THR 43 3HG2 THR 43 -17.641 14.609 -13.828 357 HG22 THR 43 1HG2 THR 43 -17.788 13.696 -12.327 358 HG23 THR 43 2HG2 THR 43 -18.233 15.402 -12.369 359 H TRP 44 H TRP 44 -22.049 15.506 -12.426 360 HA TRP 44 HA TRP 44 -21.368 18.340 -12.012 361 HB2 TRP 44 2HB TRP 44 -23.928 17.080 -11.074 362 HB3 TRP 44 3HB TRP 44 -23.596 18.769 -11.447 363 HD1 TRP 44 HD1 TRP 44 -23.647 19.489 -14.036 364 HE1 TRP 44 HE1 TRP 44 -24.750 18.397 -16.089 365 HE3 TRP 44 HE3 TRP 44 -24.515 14.834 -12.111 366 HZ2 TRP 44 HZ2 TRP 44 -25.844 15.894 -16.798 367 HZ3 TRP 44 HZ3 TRP 44 -25.595 13.148 -13.542 368 HH2 TRP 44 HH2 TRP 44 -26.246 13.670 -15.837 369 H GLU 45 H GLU 45 -20.644 19.011 -10.084 370 HA GLU 45 HA GLU 45 -20.929 17.221 -7.772 371 HB2 GLU 45 2HB GLU 45 -18.382 18.654 -8.545 372 HB3 GLU 45 3HB GLU 45 -18.615 17.660 -7.114 373 HG2 GLU 45 2HG GLU 45 -17.767 16.004 -8.328 374 HG3 GLU 45 3HG GLU 45 -19.336 15.959 -9.131 375 H THR 46 H THR 46 -21.798 18.235 -6.099 376 HA THR 46 HA THR 46 -22.699 20.787 -5.986 377 HB THR 46 HB THR 46 -22.057 20.443 -3.354 378 HG1 THR 46 HG1 THR 46 -22.548 18.002 -3.263 379 HG21 THR 46 3HG2 THR 46 -24.283 19.398 -3.138 380 HG22 THR 46 1HG2 THR 46 -24.321 19.155 -4.883 381 HG23 THR 46 2HG2 THR 46 -24.301 20.789 -4.221 382 H GLU 47 H GLU 47 -22.001 22.759 -5.091 383 HA GLU 47 HA GLU 47 -19.380 23.520 -5.707 384 HB2 GLU 47 2HB GLU 47 -20.964 25.248 -5.690 385 HB3 GLU 47 3HB GLU 47 -21.573 24.799 -4.103 386 HG2 GLU 47 2HG GLU 47 -19.539 25.607 -3.063 387 HG3 GLU 47 3HG GLU 47 -18.866 25.998 -4.645 388 H ASP 48 H ASP 48 -20.685 22.038 -2.898 389 HA ASP 48 HA ASP 48 -18.343 22.736 -1.286 390 HB2 ASP 48 2HB ASP 48 -21.104 22.026 -0.707 391 HB3 ASP 48 3HB ASP 48 -19.968 21.070 0.241 392 H ASP 49 H ASP 49 -19.099 20.489 -3.516 393 HA ASP 49 HA ASP 49 -17.434 18.435 -2.213 394 HB2 ASP 49 2HB ASP 49 -19.732 18.012 -4.135 395 HB3 ASP 49 3HB ASP 49 -18.665 16.741 -3.546 396 H ILE 50 H ILE 50 -17.652 20.656 -4.677 397 HA ILE 50 HA ILE 50 -15.999 19.118 -6.539 398 HB ILE 50 HB ILE 50 -17.902 20.381 -7.468 399 HG12 ILE 50 2HG1 ILE 50 -15.961 21.974 -8.792 400 HG13 ILE 50 3HG1 ILE 50 -15.172 20.470 -8.330 401 HG21 ILE 50 1HG2 ILE 50 -18.314 22.542 -7.048 402 HG22 ILE 50 2HG2 ILE 50 -17.212 22.329 -5.689 403 HG23 ILE 50 3HG2 ILE 50 -16.618 22.996 -7.209 404 HD11 ILE 50 3HD1 ILE 50 -16.385 20.681 -10.621 405 HD12 ILE 50 1HD1 ILE 50 -16.516 19.196 -9.679 406 HD13 ILE 50 2HD1 ILE 50 -17.832 20.371 -9.662 407 H ARG 51 H ARG 51 -15.892 21.897 -4.403 408 HA ARG 51 HA ARG 51 -13.300 22.770 -5.282 409 HB2 ARG 51 2HB ARG 51 -13.696 24.592 -4.020 410 HB3 ARG 51 3HB ARG 51 -15.334 23.962 -3.906 411 HG2 ARG 51 2HG ARG 51 -13.159 23.354 -1.919 412 HG3 ARG 51 3HG ARG 51 -14.336 24.656 -1.736 413 HD2 ARG 51 2HD ARG 51 -15.860 22.409 -2.331 414 HD3 ARG 51 3HD ARG 51 -14.616 21.820 -1.230 415 HE ARG 51 HE ARG 51 -16.773 23.633 -0.611 416 HH11 ARG 51 1HH1 ARG 51 -13.651 22.418 0.334 417 HH12 ARG 51 2HH1 ARG 51 -13.838 22.859 1.999 418 HH21 ARG 51 1HH2 ARG 51 -17.032 24.218 1.578 419 HH22 ARG 51 2HH2 ARG 51 -15.762 23.882 2.706 420 H THR 52 H THR 52 -14.451 20.344 -3.200 421 HA THR 52 HA THR 52 -12.095 20.276 -1.512 422 HB THR 52 HB THR 52 -14.263 19.663 -0.546 423 HG1 THR 52 HG1 THR 52 -13.538 17.522 0.247 424 HG21 THR 52 3HG2 THR 52 -14.837 18.461 -2.880 425 HG22 THR 52 1HG2 THR 52 -15.659 18.074 -1.370 426 HG23 THR 52 2HG2 THR 52 -14.338 17.055 -1.940 427 H LYS 53 H LYS 53 -13.418 18.546 -4.269 428 HA LYS 53 HA LYS 53 -11.089 16.759 -4.284 429 HB2 LYS 53 2HB LYS 53 -13.541 16.581 -6.035 430 HB3 LYS 53 3HB LYS 53 -12.322 15.342 -5.771 431 HG2 LYS 53 2HG LYS 53 -14.368 16.342 -3.807 432 HG3 LYS 53 3HG LYS 53 -14.269 14.740 -4.542 433 HD2 LYS 53 2HD LYS 53 -12.126 14.366 -3.393 434 HD3 LYS 53 3HD LYS 53 -12.270 15.952 -2.632 435 HE2 LYS 53 2HE LYS 53 -13.650 15.170 -1.065 436 HE3 LYS 53 3HE LYS 53 -14.656 14.351 -2.259 437 HZ1 LYS 53 3HZ LYS 53 -12.078 13.264 -1.273 438 HZ2 LYS 53 1HZ LYS 53 -13.239 12.467 -2.211 439 HZ3 LYS 53 2HZ LYS 53 -13.578 12.862 -0.601 440 H TYR 54 H TYR 54 -12.714 19.261 -6.112 441 HA TYR 54 HA TYR 54 -10.524 19.185 -8.083 442 HB2 TYR 54 2HB TYR 54 -13.229 20.426 -8.562 443 HB3 TYR 54 3HB TYR 54 -12.000 20.002 -9.750 444 HD1 TYR 54 HD2 TYR 54 -14.359 18.509 -7.291 445 HD2 TYR 54 HD1 TYR 54 -12.063 17.927 -10.826 446 HE1 TYR 54 HE2 TYR 54 -15.452 16.333 -7.635 447 HE2 TYR 54 HE1 TYR 54 -13.150 15.749 -11.180 448 HH TYR 54 HH TYR 54 -15.009 14.213 -8.793 449 H GLY 55 H GLY 55 -10.696 20.569 -5.444 450 HA2 GLY 55 2HA GLY 55 -11.184 23.275 -5.588 451 HA3 GLY 55 3HA GLY 55 -9.921 22.561 -4.597 452 H ASP 56 H ASP 56 -8.656 21.499 -7.138 453 HA ASP 56 HA ASP 56 -6.778 23.562 -7.492 454 HB2 ASP 56 2HB ASP 56 -5.977 21.414 -7.961 455 HB3 ASP 56 3HB ASP 56 -7.367 21.013 -8.967 456 H LEU 57 H LEU 57 -9.283 22.360 -9.727 457 HA LEU 57 HA LEU 57 -8.897 24.619 -11.489 458 HB2 LEU 57 2HB LEU 57 -11.103 23.453 -12.459 459 HB3 LEU 57 3HB LEU 57 -9.470 22.900 -12.823 460 HG LEU 57 HG LEU 57 -10.877 21.708 -10.485 461 HD11 LEU 57 1HD1 LEU 57 -12.269 20.350 -11.688 462 HD12 LEU 57 2HD1 LEU 57 -11.326 20.505 -13.170 463 HD13 LEU 57 3HD1 LEU 57 -12.368 21.828 -12.646 464 HD21 LEU 57 3HD2 LEU 57 -8.888 20.668 -10.595 465 HD22 LEU 57 1HD2 LEU 57 -8.639 21.096 -12.287 466 HD23 LEU 57 2HD2 LEU 57 -9.659 19.720 -11.867 467 H VAL 58 H VAL 58 -11.152 23.600 -9.018 468 HA VAL 58 HA VAL 58 -13.307 25.269 -9.521 469 HB VAL 58 HB VAL 58 -12.175 24.377 -6.868 470 HG11 VAL 58 1HG1 VAL 58 -14.427 26.150 -7.516 471 HG12 VAL 58 2HG1 VAL 58 -14.801 24.843 -6.391 472 HG13 VAL 58 3HG1 VAL 58 -13.505 25.982 -6.022 473 HG21 VAL 58 3HG2 VAL 58 -13.120 22.418 -7.317 474 HG22 VAL 58 1HG2 VAL 58 -14.680 23.204 -7.564 475 HG23 VAL 58 2HG2 VAL 58 -13.564 23.012 -8.917 476 H ASP 59 H ASP 59 -10.279 25.965 -7.837 477 HA ASP 59 HA ASP 59 -11.073 28.654 -7.171 478 HB2 ASP 59 2HB ASP 59 -8.479 27.135 -6.917 479 HB3 ASP 59 3HB ASP 59 -8.617 28.840 -6.498 480 H ASP 60 H ASP 60 -10.419 27.333 -10.028 481 HA ASP 60 HA ASP 60 -8.935 29.675 -11.026 482 HB2 ASP 60 2HB ASP 60 -8.804 26.806 -11.672 483 HB3 ASP 60 3HB ASP 60 -8.827 27.871 -13.076 484 H PHE 61 H PHE 61 -11.901 27.992 -11.084 485 HA PHE 61 HA PHE 61 -12.770 29.345 -13.535 486 HB2 PHE 61 2HB PHE 61 -13.288 26.999 -13.518 487 HB3 PHE 61 3HB PHE 61 -14.009 27.116 -11.916 488 HD1 PHE 61 HD1 PHE 61 -14.442 27.960 -15.471 489 HD2 PHE 61 HD2 PHE 61 -16.254 27.833 -11.621 490 HE1 PHE 61 HE1 PHE 61 -16.643 28.351 -16.498 491 HE2 PHE 61 HE2 PHE 61 -18.459 28.223 -12.642 492 HZ PHE 61 HZ PHE 61 -18.655 28.482 -15.084 493 H GLU 62 H GLU 62 -14.167 28.643 -10.325 494 HA GLU 62 HA GLU 62 -16.116 30.662 -10.442 495 HB2 GLU 62 2HB GLU 62 -16.594 30.156 -8.205 496 HB3 GLU 62 3HB GLU 62 -15.969 28.648 -8.857 497 HG2 GLU 62 2HG GLU 62 -13.689 29.558 -7.947 498 HG3 GLU 62 3HG GLU 62 -14.735 30.529 -6.913 499 H LYS 63 H LYS 63 -12.788 30.674 -9.336 500 HA LYS 63 HA LYS 63 -12.877 33.208 -8.053 501 HB2 LYS 63 2HB LYS 63 -10.556 31.637 -9.184 502 HB3 LYS 63 3HB LYS 63 -10.387 33.095 -8.216 503 HG2 LYS 63 2HG LYS 63 -11.698 30.547 -7.291 504 HG3 LYS 63 3HG LYS 63 -10.046 31.042 -6.913 505 HD2 LYS 63 2HD LYS 63 -11.651 33.231 -6.242 506 HD3 LYS 63 3HD LYS 63 -12.527 31.814 -5.660 507 HE2 LYS 63 2HE LYS 63 -10.070 31.173 -4.822 508 HE3 LYS 63 3HE LYS 63 -9.919 32.930 -4.806 509 HZ1 LYS 63 3HZ LYS 63 -11.164 31.290 -2.918 510 HZ2 LYS 63 1HZ LYS 63 -12.369 32.236 -3.637 511 HZ3 LYS 63 2HZ LYS 63 -11.033 32.976 -2.911 512 H ASN 64 H ASN 64 -13.017 32.324 -11.293 513 HA ASN 64 HA ASN 64 -11.833 34.836 -12.227 514 HB2 ASN 64 2HB ASN 64 -12.614 32.277 -13.606 515 HB3 ASN 64 3HB ASN 64 -12.317 33.751 -14.523 516 HD21 ASN 64 1HD2 ASN 64 -10.706 32.506 -11.635 517 HD22 ASN 64 2HD2 ASN 64 -9.136 32.391 -12.347 518 H GLN 65 H GLN 65 -14.855 32.995 -12.319 519 HA GLN 65 HA GLN 65 -16.251 35.133 -13.682 520 HB2 GLN 65 2HB GLN 65 -18.147 33.685 -13.693 521 HB3 GLN 65 3HB GLN 65 -16.740 32.696 -14.060 522 HG2 GLN 65 2HG GLN 65 -17.553 31.318 -12.511 523 HG3 GLN 65 3HG GLN 65 -16.876 32.464 -11.355 524 HE21 GLN 65 1HE2 GLN 65 -19.805 31.736 -13.192 525 HE22 GLN 65 2HE2 GLN 65 -20.910 32.336 -12.007 526 H LYS 66 H LYS 66 -15.297 34.608 -10.561 527 HA LYS 66 HA LYS 66 -17.508 35.237 -8.992 528 HB2 LYS 66 2HB LYS 66 -15.829 36.099 -7.344 529 HB3 LYS 66 3HB LYS 66 -15.490 34.482 -7.948 530 HG2 LYS 66 2HG LYS 66 -13.414 35.457 -8.028 531 HG3 LYS 66 3HG LYS 66 -13.996 35.732 -9.672 532 HD2 LYS 66 2HD LYS 66 -13.961 37.951 -9.411 533 HD3 LYS 66 3HD LYS 66 -14.780 37.856 -7.851 534 HE2 LYS 66 2HE LYS 66 -12.753 37.548 -6.691 535 HE3 LYS 66 3HE LYS 66 -11.869 37.185 -8.172 536 HZ1 LYS 66 3HZ LYS 66 -11.575 39.482 -7.153 537 HZ2 LYS 66 1HZ LYS 66 -13.125 39.824 -7.739 538 HZ3 LYS 66 2HZ LYS 66 -11.887 39.409 -8.814 539 H LYS 67 H LYS 67 -15.540 37.253 -11.020 540 HA LYS 67 HA LYS 67 -16.767 39.683 -9.938 541 HB2 LYS 67 2HB LYS 67 -14.225 39.070 -11.098 542 HB3 LYS 67 3HB LYS 67 -15.019 40.280 -12.096 543 HG2 LYS 67 2HG LYS 67 -14.599 40.506 -9.123 544 HG3 LYS 67 3HG LYS 67 -13.581 41.257 -10.355 545 HD2 LYS 67 2HD LYS 67 -15.305 42.693 -11.056 546 HD3 LYS 67 3HD LYS 67 -16.544 41.743 -10.232 547 HE2 LYS 67 2HE LYS 67 -16.176 42.752 -8.254 548 HE3 LYS 67 3HE LYS 67 -14.429 42.794 -8.487 549 HZ1 LYS 67 3HZ LYS 67 -14.512 44.847 -9.346 550 HZ2 LYS 67 1HZ LYS 67 -16.012 44.948 -8.569 551 HZ3 LYS 67 2HZ LYS 67 -15.936 44.560 -10.213 Start of MODEL 15 1 H1 MET 1 H MET 1 1.144 6.893 0.230 2 HA MET 1 HA MET 1 -0.175 7.885 -1.644 3 HB2 MET 1 2HB MET 1 1.770 10.134 -1.106 4 HB3 MET 1 3HB MET 1 0.744 10.035 -2.531 5 HG2 MET 1 2HG MET 1 -0.633 11.307 -1.306 6 HG3 MET 1 3HG MET 1 -1.108 9.761 -0.605 7 HE1 MET 1 3HE MET 1 0.059 8.975 2.071 8 HE2 MET 1 1HE MET 1 -0.766 10.280 2.925 9 HE3 MET 1 2HE MET 1 -1.517 9.538 1.513 10 H HIS 2 H HIS 2 0.578 7.771 -3.842 11 HA HIS 2 HA HIS 2 3.384 7.022 -4.199 12 HB2 HIS 2 2HB HIS 2 2.596 5.065 -5.626 13 HB3 HIS 2 3HB HIS 2 2.426 4.879 -3.883 14 HD1 HIS 2 HD1 HIS 2 -0.047 5.195 -2.927 15 HD2 HIS 2 HD2 HIS 2 0.270 4.833 -7.054 16 HE1 HIS 2 HE1 HIS 2 -2.367 4.660 -3.735 17 H HIS 3 H HIS 3 3.425 9.112 -5.238 18 HA HIS 3 HA HIS 3 1.825 9.741 -7.483 19 HB2 HIS 3 2HB HIS 3 3.455 11.525 -7.903 20 HB3 HIS 3 3HB HIS 3 3.017 11.457 -6.199 21 HD1 HIS 3 HD1 HIS 3 4.935 11.546 -4.646 22 HD2 HIS 3 HD2 HIS 3 6.032 10.065 -8.370 23 HE1 HIS 3 HE1 HIS 3 7.423 11.197 -4.525 24 H HIS 4 H HIS 4 2.534 9.932 -9.712 25 HA HIS 4 HA HIS 4 4.850 8.758 -10.748 26 HB2 HIS 4 2HB HIS 4 3.089 6.813 -9.825 27 HB3 HIS 4 3HB HIS 4 2.791 6.867 -11.560 28 HD1 HIS 4 HD1 HIS 4 5.814 7.503 -12.323 29 HD2 HIS 4 HD2 HIS 4 4.488 4.428 -9.865 30 HE1 HIS 4 HE1 HIS 4 7.625 5.760 -12.390 31 H HIS 5 H HIS 5 1.400 9.315 -11.258 32 HA HIS 5 HA HIS 5 1.427 9.463 -14.056 33 HB2 HIS 5 2HB HIS 5 -0.370 11.064 -12.229 34 HB3 HIS 5 3HB HIS 5 -0.707 10.551 -13.880 35 HD1 HIS 5 HD1 HIS 5 -2.032 9.825 -10.864 36 HD2 HIS 5 HD2 HIS 5 -0.161 7.375 -13.649 37 HE1 HIS 5 HE1 HIS 5 -2.854 7.500 -10.373 38 H HIS 6 H HIS 6 0.650 11.715 -15.076 39 HA HIS 6 HA HIS 6 2.795 13.626 -14.437 40 HB2 HIS 6 2HB HIS 6 1.398 12.951 -17.018 41 HB3 HIS 6 3HB HIS 6 2.309 14.447 -16.827 42 HD1 HIS 6 HD1 HIS 6 4.829 14.304 -16.970 43 HD2 HIS 6 HD2 HIS 6 2.993 10.578 -16.916 44 HE1 HIS 6 HE1 HIS 6 6.645 12.652 -17.515 45 H HIS 7 H HIS 7 2.300 15.644 -13.829 46 HA HIS 7 HA HIS 7 1.108 17.524 -13.339 47 HB2 HIS 7 2HB HIS 7 -0.098 16.537 -15.750 48 HB3 HIS 7 3HB HIS 7 -1.351 17.193 -14.700 49 HD1 HIS 7 HD1 HIS 7 1.900 18.231 -16.341 50 HD2 HIS 7 HD2 HIS 7 -1.508 19.921 -14.669 51 HE1 HIS 7 HE1 HIS 7 2.061 20.692 -16.830 52 H GLU 8 H GLU 8 -1.610 15.304 -13.894 53 HA GLU 8 HA GLU 8 -2.014 14.557 -11.225 54 HB2 GLU 8 2HB GLU 8 -2.708 17.230 -11.668 55 HB3 GLU 8 3HB GLU 8 -4.236 16.361 -11.675 56 HG2 GLU 8 2HG GLU 8 -2.538 15.502 -9.502 57 HG3 GLU 8 3HG GLU 8 -2.827 17.240 -9.460 58 H VAL 9 H VAL 9 -4.698 14.275 -11.017 59 HA VAL 9 HA VAL 9 -6.473 13.024 -11.703 60 HB VAL 9 HB VAL 9 -5.506 13.768 -14.467 61 HG11 VAL 9 1HG1 VAL 9 -8.239 12.769 -13.698 62 HG12 VAL 9 2HG1 VAL 9 -7.592 13.030 -15.319 63 HG13 VAL 9 3HG1 VAL 9 -6.967 11.717 -14.319 64 HG21 VAL 9 3HG2 VAL 9 -7.422 15.029 -12.535 65 HG22 VAL 9 1HG2 VAL 9 -6.088 15.768 -13.421 66 HG23 VAL 9 2HG2 VAL 9 -7.562 15.305 -14.271 67 HA PRO 10 HA PRO 10 -4.664 9.020 -12.146 68 HB2 PRO 10 2HB PRO 10 -6.965 7.584 -12.265 69 HB3 PRO 10 3HB PRO 10 -6.347 8.285 -10.765 70 HG2 PRO 10 2HG PRO 10 -8.479 9.313 -12.598 71 HG3 PRO 10 3HG PRO 10 -8.459 9.256 -10.826 72 HD2 PRO 10 2HD PRO 10 -7.915 11.515 -12.218 73 HD3 PRO 10 3HD PRO 10 -7.156 11.150 -10.655 74 H GLN 11 H GLN 11 -4.897 7.065 -13.591 75 HA GLN 11 HA GLN 11 -4.841 6.124 -15.660 76 HB2 GLN 11 2HB GLN 11 -7.049 8.114 -16.210 77 HB3 GLN 11 3HB GLN 11 -6.604 6.789 -17.278 78 HG2 GLN 11 2HG GLN 11 -7.782 5.319 -16.106 79 HG3 GLN 11 3HG GLN 11 -7.113 5.882 -14.576 80 HE21 GLN 11 1HE2 GLN 11 -7.967 8.297 -14.178 81 HE22 GLN 11 2HE2 GLN 11 -9.690 8.415 -14.217 82 H THR 12 H THR 12 -3.399 8.732 -14.960 83 HA THR 12 HA THR 12 -1.736 9.923 -15.988 84 HB THR 12 HB THR 12 -2.536 8.858 -18.680 85 HG1 THR 12 HG1 THR 12 -0.949 7.498 -16.737 86 HG21 THR 12 3HG2 THR 12 0.039 9.750 -17.395 87 HG22 THR 12 1HG2 THR 12 -0.797 10.473 -18.768 88 HG23 THR 12 2HG2 THR 12 -0.017 8.901 -18.940 89 H PHE 13 H PHE 13 -4.522 9.696 -18.210 90 HA PHE 13 HA PHE 13 -4.414 12.193 -19.333 91 HB2 PHE 13 2HB PHE 13 -6.215 10.107 -19.365 92 HB3 PHE 13 3HB PHE 13 -7.152 11.413 -18.646 93 HD1 PHE 13 HD1 PHE 13 -5.371 10.282 -21.639 94 HD2 PHE 13 HD2 PHE 13 -7.761 13.356 -19.919 95 HE1 PHE 13 HE1 PHE 13 -5.766 11.224 -23.878 96 HE2 PHE 13 HE2 PHE 13 -8.160 14.302 -22.154 97 HZ PHE 13 HZ PHE 13 -7.163 13.236 -24.138 98 H GLU 14 H GLU 14 -5.865 14.082 -18.938 99 HA GLU 14 HA GLU 14 -6.603 14.539 -16.164 100 HB2 GLU 14 2HB GLU 14 -5.324 16.755 -16.221 101 HB3 GLU 14 3HB GLU 14 -4.385 15.289 -15.973 102 HG2 GLU 14 2HG GLU 14 -3.185 15.640 -17.802 103 HG3 GLU 14 3HG GLU 14 -4.623 15.931 -18.779 104 H VAL 15 H VAL 15 -8.441 15.651 -16.069 105 HA VAL 15 HA VAL 15 -9.922 16.402 -18.277 106 HB VAL 15 HB VAL 15 -10.128 17.631 -15.525 107 HG11 VAL 15 1HG1 VAL 15 -11.626 18.907 -16.622 108 HG12 VAL 15 2HG1 VAL 15 -11.765 17.773 -17.968 109 HG13 VAL 15 3HG1 VAL 15 -12.653 17.481 -16.471 110 HG21 VAL 15 3HG2 VAL 15 -11.964 15.827 -15.328 111 HG22 VAL 15 1HG2 VAL 15 -11.104 15.030 -16.646 112 HG23 VAL 15 2HG2 VAL 15 -10.280 15.345 -15.118 113 H GLU 16 H GLU 16 -10.433 18.392 -19.237 114 HA GLU 16 HA GLU 16 -8.255 20.134 -19.650 115 HB2 GLU 16 2HB GLU 16 -10.755 19.676 -20.837 116 HB3 GLU 16 3HB GLU 16 -10.782 21.359 -20.330 117 HG2 GLU 16 2HG GLU 16 -8.469 20.247 -21.867 118 HG3 GLU 16 3HG GLU 16 -9.933 20.793 -22.682 119 H ARG 17 H ARG 17 -11.450 21.034 -18.347 120 HA ARG 17 HA ARG 17 -10.471 22.250 -16.006 121 HB2 ARG 17 2HB ARG 17 -10.291 24.491 -16.501 122 HB3 ARG 17 3HB ARG 17 -9.671 23.783 -17.987 123 HG2 ARG 17 2HG ARG 17 -12.464 24.818 -17.540 124 HG3 ARG 17 3HG ARG 17 -11.188 25.608 -18.469 125 HD2 ARG 17 2HD ARG 17 -11.255 23.161 -19.641 126 HD3 ARG 17 3HD ARG 17 -12.946 23.366 -19.189 127 HE ARG 17 HE ARG 17 -11.593 24.679 -21.300 128 HH11 ARG 17 1HH1 ARG 17 -13.990 25.203 -18.830 129 HH12 ARG 17 2HH1 ARG 17 -14.816 26.445 -19.712 130 HH21 ARG 17 1HH2 ARG 17 -12.672 26.312 -22.471 131 HH22 ARG 17 2HH2 ARG 17 -14.066 27.074 -21.783 132 H ILE 18 H ILE 18 -12.168 23.630 -14.944 133 HA ILE 18 HA ILE 18 -14.693 22.320 -15.144 134 HB ILE 18 HB ILE 18 -14.018 24.818 -13.588 135 HG12 ILE 18 2HG1 ILE 18 -12.620 22.662 -13.195 136 HG13 ILE 18 3HG1 ILE 18 -13.304 23.495 -11.804 137 HG21 ILE 18 1HG2 ILE 18 -15.893 23.634 -12.127 138 HG22 ILE 18 2HG2 ILE 18 -16.286 24.752 -13.433 139 HG23 ILE 18 3HG2 ILE 18 -16.366 23.012 -13.708 140 HD11 ILE 18 3HD1 ILE 18 -13.497 20.965 -11.874 141 HD12 ILE 18 1HD1 ILE 18 -14.963 21.876 -11.514 142 HD13 ILE 18 2HD1 ILE 18 -14.714 21.208 -13.127 143 H VAL 19 H VAL 19 -16.092 22.718 -16.722 144 HA VAL 19 HA VAL 19 -16.098 24.978 -18.378 145 HB VAL 19 HB VAL 19 -18.519 23.261 -17.855 146 HG11 VAL 19 1HG1 VAL 19 -17.748 24.201 -20.553 147 HG12 VAL 19 2HG1 VAL 19 -19.345 24.039 -19.819 148 HG13 VAL 19 3HG1 VAL 19 -18.324 25.421 -19.418 149 HG21 VAL 19 3HG2 VAL 19 -17.083 21.553 -18.294 150 HG22 VAL 19 1HG2 VAL 19 -17.422 22.041 -19.954 151 HG23 VAL 19 2HG2 VAL 19 -15.944 22.584 -19.159 152 H ARG 20 H ARG 20 -18.302 24.124 -15.709 153 HA ARG 20 HA ARG 20 -18.537 26.832 -14.859 154 HB2 ARG 20 2HB ARG 20 -20.928 27.133 -15.339 155 HB3 ARG 20 3HB ARG 20 -19.984 26.988 -16.815 156 HG2 ARG 20 2HG ARG 20 -20.992 24.429 -15.881 157 HG3 ARG 20 3HG ARG 20 -22.275 25.597 -16.204 158 HD2 ARG 20 2HD ARG 20 -20.074 25.273 -18.189 159 HD3 ARG 20 3HD ARG 20 -21.340 24.048 -18.110 160 HE ARG 20 HE ARG 20 -21.558 26.629 -19.252 161 HH11 ARG 20 1HH1 ARG 20 -23.347 24.289 -17.397 162 HH12 ARG 20 2HH1 ARG 20 -24.893 24.826 -17.965 163 HH21 ARG 20 1HH2 ARG 20 -23.588 27.346 -20.007 164 HH22 ARG 20 2HH2 ARG 20 -25.029 26.565 -19.450 165 H LYS 21 H LYS 21 -20.850 26.815 -13.459 166 HA LYS 21 HA LYS 21 -21.164 24.327 -12.027 167 HB2 LYS 21 2HB LYS 21 -20.450 25.117 -9.878 168 HB3 LYS 21 3HB LYS 21 -19.129 25.368 -11.012 169 HG2 LYS 21 2HG LYS 21 -19.500 27.690 -11.092 170 HG3 LYS 21 3HG LYS 21 -21.076 27.543 -10.311 171 HD2 LYS 21 2HD LYS 21 -19.443 26.409 -8.452 172 HD3 LYS 21 3HD LYS 21 -18.387 27.646 -9.138 173 HE2 LYS 21 2HE LYS 21 -20.478 29.182 -8.838 174 HE3 LYS 21 3HE LYS 21 -20.976 27.951 -7.678 175 HZ1 LYS 21 3HZ LYS 21 -18.244 28.938 -7.449 176 HZ2 LYS 21 1HZ LYS 21 -19.349 28.518 -6.239 177 HZ3 LYS 21 2HZ LYS 21 -19.474 30.015 -7.014 178 H LYS 22 H LYS 22 -22.887 24.423 -10.430 179 HA LYS 22 HA LYS 22 -24.491 26.729 -10.075 180 HB2 LYS 22 2HB LYS 22 -26.354 26.291 -11.451 181 HB3 LYS 22 3HB LYS 22 -24.956 26.090 -12.500 182 HG2 LYS 22 2HG LYS 22 -25.917 24.168 -13.091 183 HG3 LYS 22 3HG LYS 22 -25.312 23.558 -11.549 184 HD2 LYS 22 2HD LYS 22 -27.421 23.128 -10.980 185 HD3 LYS 22 3HD LYS 22 -27.703 24.870 -10.939 186 HE2 LYS 22 2HE LYS 22 -28.331 24.835 -13.293 187 HE3 LYS 22 3HE LYS 22 -28.001 23.105 -13.368 188 HZ1 LYS 22 3HZ LYS 22 -29.818 22.636 -11.989 189 HZ2 LYS 22 1HZ LYS 22 -30.398 23.796 -13.075 190 HZ3 LYS 22 2HZ LYS 22 -29.990 24.245 -11.497 191 H ILE 23 H ILE 23 -26.035 26.433 -8.497 192 HA ILE 23 HA ILE 23 -26.058 23.766 -7.256 193 HB ILE 23 HB ILE 23 -26.378 24.744 -5.170 194 HG12 ILE 23 2HG1 ILE 23 -26.781 27.411 -5.246 195 HG13 ILE 23 3HG1 ILE 23 -27.589 26.948 -6.740 196 HG21 ILE 23 1HG2 ILE 23 -24.201 25.411 -6.563 197 HG22 ILE 23 2HG2 ILE 23 -24.818 27.027 -6.221 198 HG23 ILE 23 3HG2 ILE 23 -24.459 25.921 -4.895 199 HD11 ILE 23 3HD1 ILE 23 -29.362 26.287 -5.606 200 HD12 ILE 23 1HD1 ILE 23 -28.382 25.170 -4.656 201 HD13 ILE 23 2HD1 ILE 23 -28.588 26.838 -4.120 202 H VAL 24 H VAL 24 -28.007 22.884 -6.480 203 HA VAL 24 HA VAL 24 -30.482 24.175 -7.390 204 HB VAL 24 HB VAL 24 -30.375 21.233 -7.693 205 HG11 VAL 24 1HG1 VAL 24 -31.382 22.972 -9.837 206 HG12 VAL 24 2HG1 VAL 24 -32.129 21.575 -9.060 207 HG13 VAL 24 3HG1 VAL 24 -32.189 23.157 -8.281 208 HG21 VAL 24 3HG2 VAL 24 -29.380 21.433 -9.962 209 HG22 VAL 24 1HG2 VAL 24 -28.948 23.100 -9.581 210 HG23 VAL 24 2HG2 VAL 24 -28.240 21.773 -8.660 211 H HIS 25 H HIS 25 -31.906 24.287 -5.793 212 HA HIS 25 HA HIS 25 -32.960 23.941 -3.805 213 HB2 HIS 25 2HB HIS 25 -32.994 21.532 -5.200 214 HB3 HIS 25 3HB HIS 25 -32.470 21.081 -3.580 215 HD1 HIS 25 HD1 HIS 25 -35.395 20.933 -5.287 216 HD2 HIS 25 HD2 HIS 25 -34.405 22.881 -1.753 217 HE1 HIS 25 HE1 HIS 25 -37.571 21.269 -4.072 218 H GLY 26 H GLY 26 -29.992 24.317 -3.874 219 HA2 GLY 26 2HA GLY 26 -28.632 24.766 -1.992 220 HA3 GLY 26 3HA GLY 26 -29.532 23.560 -1.084 221 H ASN 27 H ASN 27 -28.665 22.510 -4.186 222 HA ASN 27 HA ASN 27 -26.394 21.007 -3.060 223 HB2 ASN 27 2HB ASN 27 -28.290 20.174 -5.268 224 HB3 ASN 27 3HB ASN 27 -26.940 19.220 -4.660 225 HD21 ASN 27 1HD2 ASN 27 -29.611 18.361 -4.721 226 HD22 ASN 27 2HD2 ASN 27 -30.141 18.137 -3.092 227 H THR 28 H THR 28 -24.593 22.002 -3.728 228 HA THR 28 HA THR 28 -24.359 23.464 -6.141 229 HB THR 28 HB THR 28 -21.971 22.320 -4.728 230 HG1 THR 28 HG1 THR 28 -22.411 23.422 -2.975 231 HG21 THR 28 3HG2 THR 28 -21.879 23.808 -6.811 232 HG22 THR 28 1HG2 THR 28 -20.884 24.281 -5.434 233 HG23 THR 28 2HG2 THR 28 -22.407 25.114 -5.750 234 H SER 29 H SER 29 -23.345 22.964 -8.073 235 HA SER 29 HA SER 29 -22.442 20.213 -8.488 236 HB2 SER 29 2HB SER 29 -24.404 21.514 -10.382 237 HB3 SER 29 3HB SER 29 -23.841 19.843 -10.391 238 HG SER 29 HG SER 29 -25.741 21.078 -8.776 239 H TYR 30 H TYR 30 -20.645 20.129 -9.673 240 HA TYR 30 HA TYR 30 -19.834 22.560 -11.115 241 HB2 TYR 30 2HB TYR 30 -18.305 20.422 -9.680 242 HB3 TYR 30 3HB TYR 30 -17.523 21.322 -10.975 243 HD1 TYR 30 HD1 TYR 30 -19.851 22.326 -8.225 244 HD2 TYR 30 HD2 TYR 30 -16.061 22.865 -10.080 245 HE1 TYR 30 HE1 TYR 30 -19.344 24.143 -6.647 246 HE2 TYR 30 HE2 TYR 30 -15.542 24.682 -8.507 247 HH TYR 30 HH TYR 30 -16.214 25.461 -6.308 248 H LEU 31 H LEU 31 -19.957 22.491 -13.249 249 HA LEU 31 HA LEU 31 -20.093 19.908 -14.605 250 HB2 LEU 31 2HB LEU 31 -21.785 21.690 -15.031 251 HB3 LEU 31 3HB LEU 31 -20.503 22.669 -15.743 252 HG LEU 31 HG LEU 31 -20.253 21.146 -17.565 253 HD11 LEU 31 1HD1 LEU 31 -20.491 18.982 -17.035 254 HD12 LEU 31 2HD1 LEU 31 -22.186 19.238 -17.450 255 HD13 LEU 31 3HD1 LEU 31 -21.669 19.317 -15.766 256 HD21 LEU 31 3HD2 LEU 31 -22.616 22.553 -17.030 257 HD22 LEU 31 1HD2 LEU 31 -23.117 21.006 -17.715 258 HD23 LEU 31 2HD2 LEU 31 -21.999 22.042 -18.602 259 H VAL 32 H VAL 32 -18.225 19.061 -15.237 260 HA VAL 32 HA VAL 32 -16.175 20.865 -16.351 261 HB VAL 32 HB VAL 32 -15.547 19.748 -14.186 262 HG11 VAL 32 1HG1 VAL 32 -14.952 17.382 -14.242 263 HG12 VAL 32 2HG1 VAL 32 -16.669 17.610 -14.578 264 HG13 VAL 32 3HG1 VAL 32 -15.549 17.263 -15.897 265 HG21 VAL 32 3HG2 VAL 32 -13.947 19.237 -16.683 266 HG22 VAL 32 1HG2 VAL 32 -13.795 20.577 -15.547 267 HG23 VAL 32 2HG2 VAL 32 -13.316 18.950 -15.061 268 H LYS 33 H LYS 33 -15.252 20.339 -18.281 269 HA LYS 33 HA LYS 33 -16.597 18.282 -19.834 270 HB2 LYS 33 2HB LYS 33 -15.385 19.274 -21.751 271 HB3 LYS 33 3HB LYS 33 -16.340 20.457 -20.867 272 HG2 LYS 33 2HG LYS 33 -14.313 21.226 -19.723 273 HG3 LYS 33 3HG LYS 33 -13.363 20.057 -20.644 274 HD2 LYS 33 2HD LYS 33 -13.073 21.955 -21.910 275 HD3 LYS 33 3HD LYS 33 -14.475 21.235 -22.704 276 HE2 LYS 33 2HE LYS 33 -15.949 22.680 -21.370 277 HE3 LYS 33 3HE LYS 33 -14.534 23.414 -20.617 278 HZ1 LYS 33 3HZ LYS 33 -15.261 23.526 -23.494 279 HZ2 LYS 33 1HZ LYS 33 -13.826 24.141 -22.843 280 HZ3 LYS 33 2HZ LYS 33 -15.313 24.806 -22.389 281 H TRP 34 H TRP 34 -14.699 17.555 -21.660 282 HA TRP 34 HA TRP 34 -12.551 16.314 -20.082 283 HB2 TRP 34 2HB TRP 34 -13.795 14.708 -22.262 284 HB3 TRP 34 3HB TRP 34 -13.032 14.175 -20.766 285 HD1 TRP 34 HD1 TRP 34 -14.623 14.891 -18.465 286 HE1 TRP 34 HE1 TRP 34 -17.153 14.501 -18.196 287 HE3 TRP 34 HE3 TRP 34 -15.904 14.440 -23.394 288 HZ2 TRP 34 HZ2 TRP 34 -19.395 14.060 -19.854 289 HZ3 TRP 34 HZ3 TRP 34 -18.262 14.035 -23.967 290 HH2 TRP 34 HH2 TRP 34 -19.970 13.849 -22.232 291 H LYS 35 H LYS 35 -10.914 17.533 -20.907 292 HA LYS 35 HA LYS 35 -9.423 18.392 -22.405 293 HB2 LYS 35 2HB LYS 35 -9.516 15.676 -22.707 294 HB3 LYS 35 3HB LYS 35 -9.795 16.221 -24.355 295 HG2 LYS 35 2HG LYS 35 -7.658 17.749 -23.313 296 HG3 LYS 35 3HG LYS 35 -7.349 16.057 -22.918 297 HD2 LYS 35 2HD LYS 35 -8.036 15.663 -25.415 298 HD3 LYS 35 3HD LYS 35 -7.617 17.369 -25.588 299 HE2 LYS 35 2HE LYS 35 -5.438 16.670 -24.340 300 HE3 LYS 35 3HE LYS 35 -5.875 15.047 -24.872 301 HZ1 LYS 35 3HZ LYS 35 -5.295 17.412 -26.558 302 HZ2 LYS 35 1HZ LYS 35 -6.027 16.013 -27.168 303 HZ3 LYS 35 2HZ LYS 35 -4.468 15.937 -26.516 304 H ASN 36 H ASN 36 -12.106 19.299 -22.743 305 HA ASN 36 HA ASN 36 -13.379 20.512 -24.186 306 HB2 ASN 36 2HB ASN 36 -10.692 20.536 -25.502 307 HB3 ASN 36 3HB ASN 36 -12.075 21.186 -26.378 308 HD21 ASN 36 1HD2 ASN 36 -9.576 22.021 -24.494 309 HD22 ASN 36 2HD2 ASN 36 -10.203 23.457 -23.765 310 H TYR 37 H TYR 37 -13.581 17.674 -24.287 311 HA TYR 37 HA TYR 37 -13.718 16.839 -27.031 312 HB2 TYR 37 2HB TYR 37 -13.252 15.144 -25.416 313 HB3 TYR 37 3HB TYR 37 -14.655 15.586 -24.449 314 HD1 TYR 37 HD2 TYR 37 -16.917 14.967 -25.188 315 HD2 TYR 37 HD1 TYR 37 -13.467 13.731 -27.350 316 HE1 TYR 37 HE2 TYR 37 -18.268 13.285 -26.372 317 HE2 TYR 37 HE1 TYR 37 -14.808 12.047 -28.540 318 HH TYR 37 HH TYR 37 -17.600 11.955 -29.064 319 H SER 38 H SER 38 -16.215 17.250 -24.513 320 HA SER 38 HA SER 38 -18.259 17.437 -26.581 321 HB2 SER 38 2HB SER 38 -18.251 16.967 -23.639 322 HB3 SER 38 3HB SER 38 -19.685 17.717 -24.340 323 HG SER 38 HG SER 38 -20.180 15.894 -25.287 324 H SER 39 H SER 39 -17.226 19.335 -23.745 325 HA SER 39 HA SER 39 -17.094 21.599 -23.440 326 HB2 SER 39 2HB SER 39 -18.217 22.182 -26.151 327 HB3 SER 39 3HB SER 39 -16.965 23.037 -25.249 328 HG SER 39 HG SER 39 -15.727 20.977 -25.599 329 H LYS 40 H LYS 40 -19.917 20.766 -25.449 330 HA LYS 40 HA LYS 40 -21.602 22.554 -23.901 331 HB2 LYS 40 2HB LYS 40 -23.360 21.932 -25.490 332 HB3 LYS 40 3HB LYS 40 -21.900 22.443 -26.327 333 HG2 LYS 40 2HG LYS 40 -22.465 20.595 -27.542 334 HG3 LYS 40 3HG LYS 40 -21.382 19.876 -26.348 335 HD2 LYS 40 2HD LYS 40 -23.031 18.471 -25.829 336 HD3 LYS 40 3HD LYS 40 -23.901 19.848 -25.150 337 HE2 LYS 40 2HE LYS 40 -24.831 20.278 -27.431 338 HE3 LYS 40 3HE LYS 40 -24.092 18.766 -27.957 339 HZ1 LYS 40 3HZ LYS 40 -25.419 17.898 -25.852 340 HZ2 LYS 40 1HZ LYS 40 -26.119 17.985 -27.390 341 HZ3 LYS 40 2HZ LYS 40 -26.417 19.203 -26.255 342 H ASP 41 H ASP 41 -20.957 19.140 -24.216 343 HA ASP 41 HA ASP 41 -23.243 18.379 -22.606 344 HB2 ASP 41 2HB ASP 41 -21.560 17.066 -24.453 345 HB3 ASP 41 3HB ASP 41 -21.309 16.270 -22.902 346 H ASN 42 H ASN 42 -19.793 17.565 -22.251 347 HA ASN 42 HA ASN 42 -18.484 17.299 -20.408 348 HB2 ASN 42 2HB ASN 42 -20.032 19.366 -18.914 349 HB3 ASN 42 3HB ASN 42 -18.290 19.157 -19.060 350 HD21 ASN 42 1HD2 ASN 42 -20.217 21.445 -19.510 351 HD22 ASN 42 2HD2 ASN 42 -19.783 22.058 -21.066 352 H THR 43 H THR 43 -18.729 17.267 -17.786 353 HA THR 43 HA THR 43 -21.052 15.539 -17.227 354 HB THR 43 HB THR 43 -19.337 14.564 -15.446 355 HG1 THR 43 HG1 THR 43 -17.311 14.986 -15.891 356 HG21 THR 43 3HG2 THR 43 -19.842 12.778 -16.678 357 HG22 THR 43 1HG2 THR 43 -18.576 13.238 -17.815 358 HG23 THR 43 2HG2 THR 43 -20.230 13.800 -18.061 359 H TRP 44 H TRP 44 -22.044 15.738 -15.239 360 HA TRP 44 HA TRP 44 -21.369 18.176 -13.761 361 HB2 TRP 44 2HB TRP 44 -23.870 16.538 -14.044 362 HB3 TRP 44 3HB TRP 44 -23.678 17.636 -12.680 363 HD1 TRP 44 HD1 TRP 44 -24.463 17.580 -16.370 364 HE1 TRP 44 HE1 TRP 44 -25.015 19.965 -17.163 365 HE3 TRP 44 HE3 TRP 44 -23.040 20.171 -12.199 366 HZ2 TRP 44 HZ2 TRP 44 -24.866 22.597 -16.154 367 HZ3 TRP 44 HZ3 TRP 44 -23.277 22.620 -12.194 368 HH2 TRP 44 HH2 TRP 44 -24.170 23.806 -14.132 369 H GLU 45 H GLU 45 -20.290 18.025 -11.917 370 HA GLU 45 HA GLU 45 -20.647 15.620 -10.262 371 HB2 GLU 45 2HB GLU 45 -18.068 16.976 -11.029 372 HB3 GLU 45 3HB GLU 45 -18.191 15.915 -9.633 373 HG2 GLU 45 2HG GLU 45 -19.332 14.559 -11.835 374 HG3 GLU 45 3HG GLU 45 -17.792 15.237 -12.360 375 H THR 46 H THR 46 -21.247 16.066 -8.252 376 HA THR 46 HA THR 46 -21.909 18.509 -7.256 377 HB THR 46 HB THR 46 -21.154 17.285 -4.942 378 HG1 THR 46 HG1 THR 46 -21.759 14.989 -5.488 379 HG21 THR 46 3HG2 THR 46 -23.604 16.697 -6.608 380 HG22 THR 46 1HG2 THR 46 -23.408 18.032 -5.473 381 HG23 THR 46 2HG2 THR 46 -23.444 16.370 -4.883 382 H GLU 47 H GLU 47 -20.965 19.990 -5.783 383 HA GLU 47 HA GLU 47 -18.347 20.764 -6.382 384 HB2 GLU 47 2HB GLU 47 -19.770 22.451 -5.577 385 HB3 GLU 47 3HB GLU 47 -20.249 21.503 -4.176 386 HG2 GLU 47 2HG GLU 47 -18.049 21.787 -3.199 387 HG3 GLU 47 3HG GLU 47 -17.516 22.682 -4.621 388 H ASP 48 H ASP 48 -19.557 18.485 -4.099 389 HA ASP 48 HA ASP 48 -17.023 18.409 -2.639 390 HB2 ASP 48 2HB ASP 48 -19.781 17.697 -2.039 391 HB3 ASP 48 3HB ASP 48 -18.660 16.407 -1.613 392 H ASP 49 H ASP 49 -18.188 17.147 -5.409 393 HA ASP 49 HA ASP 49 -16.641 14.658 -5.094 394 HB2 ASP 49 2HB ASP 49 -19.108 15.149 -6.773 395 HB3 ASP 49 3HB ASP 49 -18.117 13.695 -6.872 396 H ILE 50 H ILE 50 -16.776 17.635 -6.565 397 HA ILE 50 HA ILE 50 -15.403 16.768 -9.000 398 HB ILE 50 HB ILE 50 -17.210 18.416 -9.249 399 HG12 ILE 50 2HG1 ILE 50 -15.294 20.280 -10.094 400 HG13 ILE 50 3HG1 ILE 50 -14.482 18.720 -10.170 401 HG21 ILE 50 1HG2 ILE 50 -16.240 19.513 -6.939 402 HG22 ILE 50 2HG2 ILE 50 -15.697 20.662 -8.160 403 HG23 ILE 50 3HG2 ILE 50 -17.410 20.273 -8.017 404 HD11 ILE 50 3HD1 ILE 50 -17.066 19.465 -11.518 405 HD12 ILE 50 1HD1 ILE 50 -15.499 19.226 -12.290 406 HD13 ILE 50 2HD1 ILE 50 -16.333 17.861 -11.546 407 H ARG 51 H ARG 51 -14.886 18.565 -6.032 408 HA ARG 51 HA ARG 51 -12.271 19.494 -6.777 409 HB2 ARG 51 2HB ARG 51 -12.281 20.657 -4.808 410 HB3 ARG 51 3HB ARG 51 -14.012 20.414 -4.996 411 HG2 ARG 51 2HG ARG 51 -12.238 18.607 -3.374 412 HG3 ARG 51 3HG ARG 51 -13.133 19.974 -2.706 413 HD2 ARG 51 2HD ARG 51 -15.219 18.983 -3.245 414 HD3 ARG 51 3HD ARG 51 -14.451 17.752 -4.247 415 HE ARG 51 HE ARG 51 -14.148 16.502 -2.367 416 HH11 ARG 51 1HH1 ARG 51 -14.590 19.825 -1.427 417 HH12 ARG 51 2HH1 ARG 51 -14.593 19.481 0.271 418 HH21 ARG 51 1HH2 ARG 51 -14.149 16.036 -0.134 419 HH22 ARG 51 2HH2 ARG 51 -14.341 17.325 1.005 420 H THR 52 H THR 52 -13.562 16.594 -5.529 421 HA THR 52 HA THR 52 -11.083 15.742 -4.276 422 HB THR 52 HB THR 52 -13.191 15.076 -3.229 423 HG1 THR 52 HG1 THR 52 -12.005 13.418 -2.676 424 HG21 THR 52 3HG2 THR 52 -13.860 13.080 -5.285 425 HG22 THR 52 1HG2 THR 52 -14.159 14.755 -5.747 426 HG23 THR 52 2HG2 THR 52 -14.916 14.091 -4.299 427 H LYS 53 H LYS 53 -12.810 15.335 -7.270 428 HA LYS 53 HA LYS 53 -10.905 13.280 -8.146 429 HB2 LYS 53 2HB LYS 53 -13.432 14.224 -9.512 430 HB3 LYS 53 3HB LYS 53 -12.442 12.847 -9.979 431 HG2 LYS 53 2HG LYS 53 -13.132 11.574 -8.162 432 HG3 LYS 53 3HG LYS 53 -13.693 12.986 -7.264 433 HD2 LYS 53 2HD LYS 53 -15.717 12.262 -7.973 434 HD3 LYS 53 3HD LYS 53 -15.278 13.167 -9.423 435 HE2 LYS 53 2HE LYS 53 -14.473 10.303 -9.170 436 HE3 LYS 53 3HE LYS 53 -16.135 10.701 -9.603 437 HZ1 LYS 53 3HZ LYS 53 -13.789 10.784 -11.211 438 HZ2 LYS 53 1HZ LYS 53 -14.574 12.283 -11.213 439 HZ3 LYS 53 2HZ LYS 53 -15.411 10.889 -11.677 440 H TYR 54 H TYR 54 -12.026 16.530 -8.809 441 HA TYR 54 HA TYR 54 -9.792 16.847 -10.698 442 HB2 TYR 54 2HB TYR 54 -12.388 18.337 -11.011 443 HB3 TYR 54 3HB TYR 54 -11.093 18.134 -12.186 444 HD1 TYR 54 HD1 TYR 54 -10.614 15.562 -12.784 445 HD2 TYR 54 HD2 TYR 54 -14.306 17.104 -11.336 446 HE1 TYR 54 HE1 TYR 54 -11.792 13.635 -13.756 447 HE2 TYR 54 HE2 TYR 54 -15.495 15.180 -12.303 448 HH TYR 54 HH TYR 54 -13.860 12.852 -14.354 449 H GLY 55 H GLY 55 -9.878 17.401 -7.867 450 HA2 GLY 55 2HA GLY 55 -10.393 20.015 -7.144 451 HA3 GLY 55 3HA GLY 55 -9.104 19.040 -6.454 452 H ASP 56 H ASP 56 -7.935 18.846 -9.261 453 HA ASP 56 HA ASP 56 -6.022 20.877 -8.997 454 HB2 ASP 56 2HB ASP 56 -6.400 18.633 -10.639 455 HB3 ASP 56 3HB ASP 56 -6.274 20.001 -11.741 456 H LEU 57 H LEU 57 -8.689 20.591 -11.346 457 HA LEU 57 HA LEU 57 -8.296 23.310 -12.240 458 HB2 LEU 57 2HB LEU 57 -10.555 22.672 -13.449 459 HB3 LEU 57 3HB LEU 57 -8.993 22.089 -14.021 460 HG LEU 57 HG LEU 57 -10.442 20.359 -12.103 461 HD11 LEU 57 1HD1 LEU 57 -11.731 21.365 -14.443 462 HD12 LEU 57 2HD1 LEU 57 -12.317 20.187 -13.269 463 HD13 LEU 57 3HD1 LEU 57 -11.381 19.650 -14.663 464 HD21 LEU 57 3HD2 LEU 57 -9.512 18.614 -13.505 465 HD22 LEU 57 1HD2 LEU 57 -8.254 19.766 -13.058 466 HD23 LEU 57 2HD2 LEU 57 -8.960 19.814 -14.674 467 H VAL 58 H VAL 58 -10.455 21.557 -10.120 468 HA VAL 58 HA VAL 58 -12.554 23.342 -9.862 469 HB VAL 58 HB VAL 58 -11.302 21.632 -7.709 470 HG11 VAL 58 1HG1 VAL 58 -13.878 21.838 -6.982 471 HG12 VAL 58 2HG1 VAL 58 -12.614 22.916 -6.386 472 HG13 VAL 58 3HG1 VAL 58 -13.650 23.423 -7.720 473 HG21 VAL 58 3HG2 VAL 58 -12.749 20.957 -10.043 474 HG22 VAL 58 1HG2 VAL 58 -12.233 19.896 -8.731 475 HG23 VAL 58 2HG2 VAL 58 -13.813 20.676 -8.665 476 H ASP 59 H ASP 59 -9.433 23.327 -8.185 477 HA ASP 59 HA ASP 59 -10.068 25.694 -6.667 478 HB2 ASP 59 2HB ASP 59 -7.565 24.044 -6.991 479 HB3 ASP 59 3HB ASP 59 -7.592 25.536 -6.054 480 H ASP 60 H ASP 60 -9.529 25.332 -9.815 481 HA ASP 60 HA ASP 60 -7.918 27.786 -10.059 482 HB2 ASP 60 2HB ASP 60 -7.054 25.649 -11.138 483 HB3 ASP 60 3HB ASP 60 -8.413 25.773 -12.252 484 H PHE 61 H PHE 61 -11.001 26.415 -10.501 485 HA PHE 61 HA PHE 61 -11.821 28.542 -12.347 486 HB2 PHE 61 2HB PHE 61 -12.506 26.374 -13.100 487 HB3 PHE 61 3HB PHE 61 -13.156 25.964 -11.517 488 HD1 PHE 61 HD1 PHE 61 -13.659 28.052 -14.512 489 HD2 PHE 61 HD2 PHE 61 -15.349 26.591 -10.889 490 HE1 PHE 61 HE1 PHE 61 -15.869 28.876 -15.214 491 HE2 PHE 61 HE2 PHE 61 -17.561 27.412 -11.585 492 HZ PHE 61 HZ PHE 61 -17.824 28.556 -13.750 493 H GLU 62 H GLU 62 -13.169 26.898 -9.479 494 HA GLU 62 HA GLU 62 -14.997 28.933 -8.843 495 HB2 GLU 62 2HB GLU 62 -15.391 27.772 -6.822 496 HB3 GLU 62 3HB GLU 62 -14.989 26.536 -8.005 497 HG2 GLU 62 2HG GLU 62 -13.676 25.806 -6.327 498 HG3 GLU 62 3HG GLU 62 -12.551 26.967 -7.030 499 H LYS 63 H LYS 63 -11.643 28.428 -7.956 500 HA LYS 63 HA LYS 63 -11.548 30.418 -5.925 501 HB2 LYS 63 2HB LYS 63 -9.348 29.174 -7.584 502 HB3 LYS 63 3HB LYS 63 -9.076 30.225 -6.200 503 HG2 LYS 63 2HG LYS 63 -10.497 27.570 -6.129 504 HG3 LYS 63 3HG LYS 63 -8.833 27.866 -5.620 505 HD2 LYS 63 2HD LYS 63 -9.780 29.570 -3.998 506 HD3 LYS 63 3HD LYS 63 -11.371 28.904 -4.378 507 HE2 LYS 63 2HE LYS 63 -10.982 27.445 -2.733 508 HE3 LYS 63 3HE LYS 63 -9.870 26.661 -3.852 509 HZ1 LYS 63 3HZ LYS 63 -8.846 27.120 -1.696 510 HZ2 LYS 63 1HZ LYS 63 -9.121 28.777 -1.907 511 HZ3 LYS 63 2HZ LYS 63 -8.065 27.956 -2.943 512 H ASN 64 H ASN 64 -11.825 30.625 -9.263 513 HA ASN 64 HA ASN 64 -10.487 33.226 -9.411 514 HB2 ASN 64 2HB ASN 64 -11.493 31.294 -11.487 515 HB3 ASN 64 3HB ASN 64 -11.116 32.963 -11.905 516 HD21 ASN 64 1HD2 ASN 64 -9.517 30.769 -9.643 517 HD22 ASN 64 2HD2 ASN 64 -7.981 30.791 -10.435 518 H GLN 65 H GLN 65 -13.638 31.703 -9.946 519 HA GLN 65 HA GLN 65 -14.908 34.244 -10.485 520 HB2 GLN 65 2HB GLN 65 -16.979 32.909 -10.647 521 HB3 GLN 65 3HB GLN 65 -15.697 32.283 -11.675 522 HG2 GLN 65 2HG GLN 65 -15.604 30.333 -10.586 523 HG3 GLN 65 3HG GLN 65 -15.784 31.092 -9.005 524 HE21 GLN 65 1HE2 GLN 65 -18.069 32.087 -8.727 525 HE22 GLN 65 2HE2 GLN 65 -19.376 31.039 -9.148 526 H LYS 66 H LYS 66 -13.904 32.704 -7.741 527 HA LYS 66 HA LYS 66 -16.026 32.946 -5.948 528 HB2 LYS 66 2HB LYS 66 -14.248 33.098 -4.194 529 HB3 LYS 66 3HB LYS 66 -14.052 31.748 -5.303 530 HG2 LYS 66 2HG LYS 66 -11.907 32.547 -5.160 531 HG3 LYS 66 3HG LYS 66 -12.499 33.386 -6.596 532 HD2 LYS 66 2HD LYS 66 -12.300 35.392 -5.626 533 HD3 LYS 66 3HD LYS 66 -13.059 34.835 -4.133 534 HE2 LYS 66 2HE LYS 66 -10.754 33.614 -3.804 535 HE3 LYS 66 3HE LYS 66 -10.182 34.858 -4.915 536 HZ1 LYS 66 3HZ LYS 66 -10.731 35.078 -2.162 537 HZ2 LYS 66 1HZ LYS 66 -11.758 36.123 -3.008 538 HZ3 LYS 66 2HZ LYS 66 -10.083 36.240 -3.207 539 H LYS 67 H LYS 67 -13.935 35.353 -7.321 540 HA LYS 67 HA LYS 67 -15.596 37.477 -6.416 541 HB2 LYS 67 2HB LYS 67 -14.184 36.920 -4.370 542 HB3 LYS 67 3HB LYS 67 -12.802 37.509 -5.283 543 HG2 LYS 67 2HG LYS 67 -14.224 39.648 -5.592 544 HG3 LYS 67 3HG LYS 67 -15.150 39.022 -4.225 545 HD2 LYS 67 2HD LYS 67 -12.270 38.908 -3.795 546 HD3 LYS 67 3HD LYS 67 -12.859 40.549 -4.072 547 HE2 LYS 67 2HE LYS 67 -14.596 39.073 -2.288 548 HE3 LYS 67 3HE LYS 67 -12.939 39.122 -1.687 549 HZ1 LYS 67 3HZ LYS 67 -13.936 41.030 -0.835 550 HZ2 LYS 67 1HZ LYS 67 -14.745 41.386 -2.278 551 HZ3 LYS 67 2HZ LYS 67 -13.071 41.602 -2.171 Start of MODEL 16 1 H1 MET 1 H MET 1 7.543 9.719 -19.635 2 HA MET 1 HA MET 1 5.513 8.185 -18.206 3 HB2 MET 1 2HB MET 1 8.470 7.689 -18.071 4 HB3 MET 1 3HB MET 1 7.448 7.359 -16.679 5 HG2 MET 1 2HG MET 1 6.676 5.474 -17.563 6 HG3 MET 1 3HG MET 1 6.376 6.233 -19.125 7 HE1 MET 1 3HE MET 1 8.044 3.577 -20.681 8 HE2 MET 1 1HE MET 1 8.076 2.888 -19.057 9 HE3 MET 1 2HE MET 1 6.683 3.830 -19.588 10 H HIS 2 H HIS 2 5.705 10.945 -18.481 11 HA HIS 2 HA HIS 2 7.076 12.127 -16.270 12 HB2 HIS 2 2HB HIS 2 4.783 13.336 -17.817 13 HB3 HIS 2 3HB HIS 2 6.052 14.182 -16.935 14 HD1 HIS 2 HD1 HIS 2 8.592 13.407 -18.003 15 HD2 HIS 2 HD2 HIS 2 5.246 13.450 -20.465 16 HE1 HIS 2 HE1 HIS 2 9.485 13.552 -20.349 17 H HIS 3 H HIS 3 6.434 12.344 -14.225 18 HA HIS 3 HA HIS 3 3.591 11.906 -13.594 19 HB2 HIS 3 2HB HIS 3 5.876 11.002 -11.840 20 HB3 HIS 3 3HB HIS 3 4.166 10.623 -11.660 21 HD1 HIS 3 HD1 HIS 3 3.748 9.843 -14.716 22 HD2 HIS 3 HD2 HIS 3 6.701 8.386 -12.182 23 HE1 HIS 3 HE1 HIS 3 4.439 7.630 -15.691 24 H HIS 4 H HIS 4 2.689 13.544 -12.545 25 HA HIS 4 HA HIS 4 3.802 14.904 -10.372 26 HB2 HIS 4 2HB HIS 4 4.111 17.162 -11.489 27 HB3 HIS 4 3HB HIS 4 5.358 15.964 -11.824 28 HD1 HIS 4 HD1 HIS 4 5.415 14.958 -14.231 29 HD2 HIS 4 HD2 HIS 4 2.631 17.994 -13.687 30 HE1 HIS 4 HE1 HIS 4 4.710 15.646 -16.545 31 H HIS 5 H HIS 5 1.507 14.048 -10.133 32 HA HIS 5 HA HIS 5 -0.327 16.291 -10.545 33 HB2 HIS 5 2HB HIS 5 -0.549 14.330 -12.285 34 HB3 HIS 5 3HB HIS 5 -1.373 13.516 -10.958 35 HD1 HIS 5 HD1 HIS 5 -3.123 13.966 -13.256 36 HD2 HIS 5 HD2 HIS 5 -2.509 16.936 -10.417 37 HE1 HIS 5 HE1 HIS 5 -5.099 15.508 -13.459 38 H HIS 6 H HIS 6 -0.096 13.028 -9.123 39 HA HIS 6 HA HIS 6 -0.622 12.229 -7.058 40 HB2 HIS 6 2HB HIS 6 0.805 14.329 -6.470 41 HB3 HIS 6 3HB HIS 6 -0.736 15.032 -5.988 42 HD1 HIS 6 HD1 HIS 6 0.083 11.417 -5.380 43 HD2 HIS 6 HD2 HIS 6 -0.173 14.989 -3.273 44 HE1 HIS 6 HE1 HIS 6 0.230 10.778 -2.952 45 H HIS 7 H HIS 7 -2.671 11.510 -7.674 46 HA HIS 7 HA HIS 7 -4.834 12.452 -6.178 47 HB2 HIS 7 2HB HIS 7 -4.416 13.998 -8.490 48 HB3 HIS 7 3HB HIS 7 -5.791 12.959 -8.853 49 HD1 HIS 7 HD1 HIS 7 -7.991 13.505 -7.736 50 HD2 HIS 7 HD2 HIS 7 -4.826 15.766 -6.276 51 HE1 HIS 7 HE1 HIS 7 -9.040 15.273 -6.288 52 H GLU 8 H GLU 8 -7.012 11.660 -7.598 53 HA GLU 8 HA GLU 8 -6.547 8.802 -7.805 54 HB2 GLU 8 2HB GLU 8 -8.552 10.129 -6.660 55 HB3 GLU 8 3HB GLU 8 -9.237 9.989 -8.273 56 HG2 GLU 8 2HG GLU 8 -10.022 8.032 -7.560 57 HG3 GLU 8 3HG GLU 8 -8.379 7.447 -7.818 58 H VAL 9 H VAL 9 -5.256 9.897 -9.859 59 HA VAL 9 HA VAL 9 -6.781 8.947 -12.147 60 HB VAL 9 HB VAL 9 -5.540 11.702 -12.120 61 HG11 VAL 9 1HG1 VAL 9 -6.356 11.899 -14.402 62 HG12 VAL 9 2HG1 VAL 9 -5.247 10.534 -14.259 63 HG13 VAL 9 3HG1 VAL 9 -6.987 10.253 -14.336 64 HG21 VAL 9 3HG2 VAL 9 -7.618 11.808 -10.976 65 HG22 VAL 9 1HG2 VAL 9 -7.912 12.403 -12.609 66 HG23 VAL 9 2HG2 VAL 9 -8.403 10.769 -12.165 67 HA PRO 10 HA PRO 10 -2.384 7.572 -12.180 68 HB2 PRO 10 2HB PRO 10 -2.956 5.064 -13.049 69 HB3 PRO 10 3HB PRO 10 -3.005 5.524 -11.343 70 HG2 PRO 10 2HG PRO 10 -5.256 5.260 -13.299 71 HG3 PRO 10 3HG PRO 10 -5.173 4.726 -11.610 72 HD2 PRO 10 2HD PRO 10 -6.439 7.000 -12.360 73 HD3 PRO 10 3HD PRO 10 -5.624 6.833 -10.791 74 H GLN 11 H GLN 11 -2.912 9.284 -14.065 75 HA GLN 11 HA GLN 11 -2.735 9.842 -16.268 76 HB2 GLN 11 2HB GLN 11 -0.894 7.574 -15.819 77 HB3 GLN 11 3HB GLN 11 -1.257 7.937 -17.501 78 HG2 GLN 11 2HG GLN 11 0.390 9.420 -17.374 79 HG3 GLN 11 3HG GLN 11 -0.738 10.415 -16.454 80 HE21 GLN 11 1HE2 GLN 11 -0.661 10.289 -14.141 81 HE22 GLN 11 2HE2 GLN 11 0.817 9.876 -13.347 82 H THR 12 H THR 12 -5.076 9.371 -16.435 83 HA THR 12 HA THR 12 -5.538 7.519 -18.622 84 HB THR 12 HB THR 12 -7.073 7.287 -16.027 85 HG1 THR 12 HG1 THR 12 -5.859 5.582 -15.686 86 HG21 THR 12 3HG2 THR 12 -8.077 5.292 -17.372 87 HG22 THR 12 1HG2 THR 12 -7.578 6.228 -18.780 88 HG23 THR 12 2HG2 THR 12 -8.714 6.917 -17.620 89 H PHE 13 H PHE 13 -7.722 9.099 -16.304 90 HA PHE 13 HA PHE 13 -9.315 10.190 -18.418 91 HB2 PHE 13 2HB PHE 13 -9.665 9.670 -15.680 92 HB3 PHE 13 3HB PHE 13 -9.826 11.415 -15.852 93 HD1 PHE 13 HD2 PHE 13 -11.060 8.205 -17.257 94 HD2 PHE 13 HD1 PHE 13 -11.823 12.338 -16.582 95 HE1 PHE 13 HE2 PHE 13 -13.364 7.908 -18.065 96 HE2 PHE 13 HE1 PHE 13 -14.129 12.047 -17.388 97 HZ PHE 13 HZ PHE 13 -14.902 9.830 -18.133 98 H GLU 14 H GLU 14 -7.831 11.913 -15.676 99 HA GLU 14 HA GLU 14 -6.890 13.978 -15.509 100 HB2 GLU 14 2HB GLU 14 -6.122 13.686 -18.409 101 HB3 GLU 14 3HB GLU 14 -5.301 14.615 -17.163 102 HG2 GLU 14 2HG GLU 14 -4.600 12.596 -16.054 103 HG3 GLU 14 3HG GLU 14 -5.524 11.614 -17.189 104 H VAL 15 H VAL 15 -8.623 15.304 -15.220 105 HA VAL 15 HA VAL 15 -10.290 16.142 -17.409 106 HB VAL 15 HB VAL 15 -10.202 17.424 -14.687 107 HG11 VAL 15 1HG1 VAL 15 -11.909 17.583 -17.028 108 HG12 VAL 15 2HG1 VAL 15 -12.815 17.202 -15.562 109 HG13 VAL 15 3HG1 VAL 15 -11.809 18.650 -15.627 110 HG21 VAL 15 3HG2 VAL 15 -10.950 14.698 -15.392 111 HG22 VAL 15 1HG2 VAL 15 -10.676 15.424 -13.809 112 HG23 VAL 15 2HG2 VAL 15 -12.248 15.585 -14.593 113 H GLU 16 H GLU 16 -10.519 18.287 -18.186 114 HA GLU 16 HA GLU 16 -8.007 19.667 -18.457 115 HB2 GLU 16 2HB GLU 16 -10.504 19.554 -19.875 116 HB3 GLU 16 3HB GLU 16 -10.085 21.232 -19.558 117 HG2 GLU 16 2HG GLU 16 -7.944 19.479 -20.604 118 HG3 GLU 16 3HG GLU 16 -9.247 19.919 -21.708 119 H ARG 17 H ARG 17 -11.247 20.864 -17.558 120 HA ARG 17 HA ARG 17 -10.413 22.087 -15.159 121 HB2 ARG 17 2HB ARG 17 -10.001 24.273 -15.695 122 HB3 ARG 17 3HB ARG 17 -9.376 23.502 -17.147 123 HG2 ARG 17 2HG ARG 17 -12.091 24.764 -16.824 124 HG3 ARG 17 3HG ARG 17 -10.723 25.422 -17.724 125 HD2 ARG 17 2HD ARG 17 -10.983 22.935 -18.821 126 HD3 ARG 17 3HD ARG 17 -12.659 23.357 -18.474 127 HE ARG 17 HE ARG 17 -12.579 24.840 -20.201 128 HH11 ARG 17 1HH1 ARG 17 -9.324 24.169 -19.165 129 HH12 ARG 17 2HH1 ARG 17 -8.590 25.093 -20.434 130 HH21 ARG 17 1HH2 ARG 17 -11.625 26.059 -21.877 131 HH22 ARG 17 2HH2 ARG 17 -9.900 26.168 -21.975 132 H ILE 18 H ILE 18 -12.112 23.578 -14.284 133 HA ILE 18 HA ILE 18 -14.675 22.410 -14.641 134 HB ILE 18 HB ILE 18 -13.992 24.975 -13.201 135 HG12 ILE 18 2HG1 ILE 18 -12.761 22.810 -12.521 136 HG13 ILE 18 3HG1 ILE 18 -13.572 23.729 -11.258 137 HG21 ILE 18 1HG2 ILE 18 -16.071 23.963 -11.855 138 HG22 ILE 18 2HG2 ILE 18 -16.253 25.076 -13.210 139 HG23 ILE 18 3HG2 ILE 18 -16.441 23.341 -13.463 140 HD11 ILE 18 3HD1 ILE 18 -13.817 21.118 -11.450 141 HD12 ILE 18 1HD1 ILE 18 -15.159 22.135 -10.928 142 HD13 ILE 18 2HD1 ILE 18 -15.086 21.557 -12.593 143 H VAL 19 H VAL 19 -15.857 22.739 -16.408 144 HA VAL 19 HA VAL 19 -15.622 24.892 -18.177 145 HB VAL 19 HB VAL 19 -18.134 23.269 -17.796 146 HG11 VAL 19 1HG1 VAL 19 -17.709 25.349 -19.450 147 HG12 VAL 19 2HG1 VAL 19 -17.141 24.025 -20.468 148 HG13 VAL 19 3HG1 VAL 19 -18.785 24.005 -19.829 149 HG21 VAL 19 3HG2 VAL 19 -16.852 21.463 -18.138 150 HG22 VAL 19 1HG2 VAL 19 -16.747 22.033 -19.804 151 HG23 VAL 19 2HG2 VAL 19 -15.469 22.427 -18.655 152 H ARG 20 H ARG 20 -18.122 24.274 -15.712 153 HA ARG 20 HA ARG 20 -18.340 27.044 -15.063 154 HB2 ARG 20 2HB ARG 20 -20.699 27.326 -15.764 155 HB3 ARG 20 3HB ARG 20 -19.602 27.139 -17.125 156 HG2 ARG 20 2HG ARG 20 -20.729 24.616 -16.198 157 HG3 ARG 20 3HG ARG 20 -21.941 25.772 -16.755 158 HD2 ARG 20 2HD ARG 20 -19.921 25.938 -18.646 159 HD3 ARG 20 3HD ARG 20 -20.018 24.218 -18.270 160 HE ARG 20 HE ARG 20 -22.591 24.832 -18.646 161 HH11 ARG 20 1HH1 ARG 20 -19.751 25.578 -20.515 162 HH12 ARG 20 2HH1 ARG 20 -20.595 25.610 -22.028 163 HH21 ARG 20 1HH2 ARG 20 -23.714 24.870 -20.631 164 HH22 ARG 20 2HH2 ARG 20 -22.849 25.208 -22.093 165 H LYS 21 H LYS 21 -20.688 27.232 -13.821 166 HA LYS 21 HA LYS 21 -21.209 24.840 -12.262 167 HB2 LYS 21 2HB LYS 21 -20.685 25.794 -10.131 168 HB3 LYS 21 3HB LYS 21 -19.266 25.973 -11.155 169 HG2 LYS 21 2HG LYS 21 -19.628 28.278 -11.435 170 HG3 LYS 21 3HG LYS 21 -21.275 28.176 -10.808 171 HD2 LYS 21 2HD LYS 21 -19.822 27.193 -8.719 172 HD3 LYS 21 3HD LYS 21 -18.721 28.402 -9.383 173 HE2 LYS 21 2HE LYS 21 -21.551 28.814 -8.436 174 HE3 LYS 21 3HE LYS 21 -20.075 29.465 -7.724 175 HZ1 LYS 21 3HZ LYS 21 -20.780 31.249 -8.925 176 HZ2 LYS 21 1HZ LYS 21 -21.510 30.314 -10.132 177 HZ3 LYS 21 2HZ LYS 21 -19.828 30.496 -10.104 178 H LYS 22 H LYS 22 -23.085 25.052 -10.876 179 HA LYS 22 HA LYS 22 -24.691 27.383 -10.835 180 HB2 LYS 22 2HB LYS 22 -26.430 26.835 -12.352 181 HB3 LYS 22 3HB LYS 22 -24.927 26.642 -13.246 182 HG2 LYS 22 2HG LYS 22 -25.650 24.632 -13.830 183 HG3 LYS 22 3HG LYS 22 -25.401 24.137 -12.154 184 HD2 LYS 22 2HD LYS 22 -27.587 23.683 -12.108 185 HD3 LYS 22 3HD LYS 22 -27.841 25.430 -12.090 186 HE2 LYS 22 2HE LYS 22 -27.611 25.169 -14.691 187 HE3 LYS 22 3HE LYS 22 -28.054 23.496 -14.352 188 HZ1 LYS 22 3HZ LYS 22 -30.105 24.150 -13.474 189 HZ2 LYS 22 1HZ LYS 22 -29.925 25.098 -14.863 190 HZ3 LYS 22 2HZ LYS 22 -29.647 25.772 -13.336 191 H ILE 23 H ILE 23 -26.435 27.181 -9.447 192 HA ILE 23 HA ILE 23 -26.637 24.581 -8.078 193 HB ILE 23 HB ILE 23 -27.085 25.654 -6.063 194 HG12 ILE 23 2HG1 ILE 23 -27.352 28.332 -6.271 195 HG13 ILE 23 3HG1 ILE 23 -28.056 27.844 -7.809 196 HG21 ILE 23 1HG2 ILE 23 -25.153 26.786 -5.663 197 HG22 ILE 23 2HG2 ILE 23 -24.767 26.147 -7.260 198 HG23 ILE 23 3HG2 ILE 23 -25.327 27.810 -7.087 199 HD11 ILE 23 3HD1 ILE 23 -29.947 27.316 -6.803 200 HD12 ILE 23 1HD1 ILE 23 -29.104 26.188 -5.741 201 HD13 ILE 23 2HD1 ILE 23 -29.268 27.882 -5.276 202 H VAL 24 H VAL 24 -28.684 23.816 -7.438 203 HA VAL 24 HA VAL 24 -31.013 25.181 -8.590 204 HB VAL 24 HB VAL 24 -31.078 22.244 -8.811 205 HG11 VAL 24 1HG1 VAL 24 -32.590 22.671 -10.431 206 HG12 VAL 24 2HG1 VAL 24 -32.643 24.263 -9.672 207 HG13 VAL 24 3HG1 VAL 24 -31.650 24.001 -11.106 208 HG21 VAL 24 3HG2 VAL 24 -29.270 23.898 -10.569 209 HG22 VAL 24 1HG2 VAL 24 -28.798 22.567 -9.513 210 HG23 VAL 24 2HG2 VAL 24 -29.793 22.254 -10.935 211 H HIS 25 H HIS 25 -32.592 25.366 -7.149 212 HA HIS 25 HA HIS 25 -33.826 25.117 -5.252 213 HB2 HIS 25 2HB HIS 25 -33.850 22.694 -6.570 214 HB3 HIS 25 3HB HIS 25 -33.380 22.241 -4.934 215 HD1 HIS 25 HD1 HIS 25 -36.230 23.633 -6.908 216 HD2 HIS 25 HD2 HIS 25 -35.367 22.563 -2.987 217 HE1 HIS 25 HE1 HIS 25 -38.442 23.621 -5.711 218 H GLY 26 H GLY 26 -30.861 25.442 -5.063 219 HA2 GLY 26 2HA GLY 26 -29.635 25.920 -3.108 220 HA3 GLY 26 3HA GLY 26 -30.674 24.820 -2.214 221 H ASN 27 H ASN 27 -29.494 23.625 -5.191 222 HA ASN 27 HA ASN 27 -27.456 22.053 -3.755 223 HB2 ASN 27 2HB ASN 27 -29.116 21.173 -6.127 224 HB3 ASN 27 3HB ASN 27 -27.934 20.194 -5.262 225 HD21 ASN 27 1HD2 ASN 27 -28.626 18.984 -3.642 226 HD22 ASN 27 2HD2 ASN 27 -30.169 19.114 -2.876 227 H THR 28 H THR 28 -25.548 22.923 -4.283 228 HA THR 28 HA THR 28 -25.002 24.247 -6.725 229 HB THR 28 HB THR 28 -22.812 23.068 -5.053 230 HG1 THR 28 HG1 THR 28 -24.424 25.316 -4.353 231 HG21 THR 28 3HG2 THR 28 -23.083 25.828 -6.229 232 HG22 THR 28 1HG2 THR 28 -22.425 24.465 -7.135 233 HG23 THR 28 2HG2 THR 28 -21.618 25.022 -5.668 234 H SER 29 H SER 29 -23.860 23.599 -8.530 235 HA SER 29 HA SER 29 -23.014 20.809 -8.722 236 HB2 SER 29 2HB SER 29 -24.893 22.066 -10.736 237 HB3 SER 29 3HB SER 29 -24.246 20.426 -10.784 238 HG SER 29 HG SER 29 -26.427 20.673 -9.901 239 H TYR 30 H TYR 30 -21.113 20.657 -9.711 240 HA TYR 30 HA TYR 30 -20.160 22.969 -11.253 241 HB2 TYR 30 2HB TYR 30 -18.769 20.871 -9.621 242 HB3 TYR 30 3HB TYR 30 -17.890 21.739 -10.875 243 HD1 TYR 30 HD2 TYR 30 -20.393 22.770 -8.291 244 HD2 TYR 30 HD1 TYR 30 -16.517 23.342 -9.951 245 HE1 TYR 30 HE2 TYR 30 -20.002 24.625 -6.725 246 HE2 TYR 30 HE1 TYR 30 -16.115 25.198 -8.389 247 HH TYR 30 HH TYR 30 -17.867 26.896 -7.058 248 H LEU 31 H LEU 31 -20.258 22.760 -13.380 249 HA LEU 31 HA LEU 31 -20.308 20.111 -14.591 250 HB2 LEU 31 2HB LEU 31 -21.951 21.838 -15.250 251 HB3 LEU 31 3HB LEU 31 -20.627 22.825 -15.866 252 HG LEU 31 HG LEU 31 -20.204 21.306 -17.640 253 HD11 LEU 31 1HD1 LEU 31 -20.359 19.142 -17.071 254 HD12 LEU 31 2HD1 LEU 31 -22.020 19.293 -17.642 255 HD13 LEU 31 3HD1 LEU 31 -21.664 19.429 -15.921 256 HD21 LEU 31 3HD2 LEU 31 -21.921 22.618 -18.395 257 HD22 LEU 31 1HD2 LEU 31 -23.048 22.045 -17.165 258 HD23 LEU 31 2HD2 LEU 31 -22.658 21.021 -18.547 259 H VAL 32 H VAL 32 -18.353 19.236 -14.875 260 HA VAL 32 HA VAL 32 -16.217 20.931 -15.995 261 HB VAL 32 HB VAL 32 -15.778 19.890 -13.747 262 HG11 VAL 32 1HG1 VAL 32 -15.230 17.508 -13.675 263 HG12 VAL 32 2HG1 VAL 32 -16.917 17.763 -14.127 264 HG13 VAL 32 3HG1 VAL 32 -15.726 17.340 -15.358 265 HG21 VAL 32 3HG2 VAL 32 -13.923 20.629 -15.053 266 HG22 VAL 32 1HG2 VAL 32 -13.508 19.047 -14.394 267 HG23 VAL 32 2HG2 VAL 32 -14.001 19.198 -16.081 268 H LYS 33 H LYS 33 -15.008 20.181 -17.732 269 HA LYS 33 HA LYS 33 -16.371 18.236 -19.405 270 HB2 LYS 33 2HB LYS 33 -14.748 18.972 -21.140 271 HB3 LYS 33 3HB LYS 33 -15.697 20.292 -20.468 272 HG2 LYS 33 2HG LYS 33 -13.600 20.466 -18.851 273 HG3 LYS 33 3HG LYS 33 -12.800 19.724 -20.239 274 HD2 LYS 33 2HD LYS 33 -14.404 21.729 -21.322 275 HD3 LYS 33 3HD LYS 33 -13.706 22.445 -19.867 276 HE2 LYS 33 2HE LYS 33 -11.513 22.111 -20.622 277 HE3 LYS 33 3HE LYS 33 -12.017 20.948 -21.846 278 HZ1 LYS 33 3HZ LYS 33 -12.778 22.606 -23.232 279 HZ2 LYS 33 1HZ LYS 33 -11.415 23.338 -22.549 280 HZ3 LYS 33 2HZ LYS 33 -12.959 23.735 -21.985 281 H TRP 34 H TRP 34 -14.416 17.132 -20.904 282 HA TRP 34 HA TRP 34 -12.781 15.631 -18.965 283 HB2 TRP 34 2HB TRP 34 -14.141 14.556 -21.446 284 HB3 TRP 34 3HB TRP 34 -13.086 13.634 -20.379 285 HD1 TRP 34 HD1 TRP 34 -14.513 15.037 -17.692 286 HE1 TRP 34 HE1 TRP 34 -16.756 14.025 -16.938 287 HE3 TRP 34 HE3 TRP 34 -15.841 12.683 -22.032 288 HZ2 TRP 34 HZ2 TRP 34 -18.816 12.439 -18.037 289 HZ3 TRP 34 HZ3 TRP 34 -17.964 11.440 -22.097 290 HH2 TRP 34 HH2 TRP 34 -19.418 11.321 -20.140 291 H LYS 35 H LYS 35 -10.941 16.875 -19.342 292 HA LYS 35 HA LYS 35 -9.113 17.689 -20.458 293 HB2 LYS 35 2HB LYS 35 -9.083 14.973 -20.418 294 HB3 LYS 35 3HB LYS 35 -8.935 15.272 -22.145 295 HG2 LYS 35 2HG LYS 35 -7.170 16.910 -20.476 296 HG3 LYS 35 3HG LYS 35 -6.861 15.174 -20.397 297 HD2 LYS 35 2HD LYS 35 -7.184 15.540 -23.073 298 HD3 LYS 35 3HD LYS 35 -6.445 17.072 -22.600 299 HE2 LYS 35 2HE LYS 35 -4.813 15.486 -21.276 300 HE3 LYS 35 3HE LYS 35 -5.349 14.304 -22.469 301 HZ1 LYS 35 3HZ LYS 35 -3.734 15.169 -23.722 302 HZ2 LYS 35 1HZ LYS 35 -3.604 16.573 -22.787 303 HZ3 LYS 35 2HZ LYS 35 -4.792 16.462 -23.986 304 H ASN 36 H ASN 36 -11.443 18.632 -21.630 305 HA ASN 36 HA ASN 36 -12.006 19.852 -23.480 306 HB2 ASN 36 2HB ASN 36 -9.263 19.266 -23.919 307 HB3 ASN 36 3HB ASN 36 -10.108 18.975 -25.437 308 HD21 ASN 36 1HD2 ASN 36 -9.927 21.356 -22.818 309 HD22 ASN 36 2HD2 ASN 36 -10.066 22.743 -23.838 310 H TYR 37 H TYR 37 -10.833 16.584 -24.221 311 HA TYR 37 HA TYR 37 -11.957 15.821 -26.472 312 HB2 TYR 37 2HB TYR 37 -10.968 14.206 -24.944 313 HB3 TYR 37 3HB TYR 37 -12.345 14.349 -23.857 314 HD1 TYR 37 HD2 TYR 37 -14.600 13.542 -24.645 315 HD2 TYR 37 HD1 TYR 37 -11.010 12.712 -26.771 316 HE1 TYR 37 HE2 TYR 37 -15.734 11.711 -25.833 317 HE2 TYR 37 HE1 TYR 37 -12.134 10.879 -27.966 318 HH TYR 37 HH TYR 37 -14.276 10.088 -28.526 319 H SER 38 H SER 38 -13.922 15.949 -23.497 320 HA SER 38 HA SER 38 -16.317 16.183 -25.194 321 HB2 SER 38 2HB SER 38 -17.594 15.224 -23.406 322 HB3 SER 38 3HB SER 38 -16.165 14.214 -23.620 323 HG SER 38 HG SER 38 -16.628 16.165 -21.617 324 H SER 39 H SER 39 -15.443 18.506 -25.282 325 HA SER 39 HA SER 39 -15.708 20.165 -22.992 326 HB2 SER 39 2HB SER 39 -15.762 22.018 -24.780 327 HB3 SER 39 3HB SER 39 -14.314 21.016 -24.692 328 HG SER 39 HG SER 39 -14.765 20.909 -26.783 329 H LYS 40 H LYS 40 -17.973 18.742 -25.075 330 HA LYS 40 HA LYS 40 -20.048 20.677 -24.288 331 HB2 LYS 40 2HB LYS 40 -21.374 19.492 -26.145 332 HB3 LYS 40 3HB LYS 40 -20.069 20.567 -26.628 333 HG2 LYS 40 2HG LYS 40 -19.411 17.702 -26.266 334 HG3 LYS 40 3HG LYS 40 -20.384 18.151 -27.669 335 HD2 LYS 40 2HD LYS 40 -18.042 19.860 -27.176 336 HD3 LYS 40 3HD LYS 40 -17.670 18.188 -27.603 337 HE2 LYS 40 2HE LYS 40 -18.957 18.367 -29.628 338 HE3 LYS 40 3HE LYS 40 -19.523 19.974 -29.175 339 HZ1 LYS 40 3HZ LYS 40 -17.207 20.740 -29.281 340 HZ2 LYS 40 1HZ LYS 40 -17.755 20.152 -30.770 341 HZ3 LYS 40 2HZ LYS 40 -16.726 19.209 -29.815 342 H ASP 41 H ASP 41 -19.031 17.363 -24.117 343 HA ASP 41 HA ASP 41 -21.561 16.506 -22.948 344 HB2 ASP 41 2HB ASP 41 -19.500 15.217 -24.408 345 HB3 ASP 41 3HB ASP 41 -19.536 14.484 -22.806 346 H ASN 42 H ASN 42 -19.763 18.442 -21.608 347 HA ASN 42 HA ASN 42 -18.272 17.395 -19.542 348 HB2 ASN 42 2HB ASN 42 -20.062 19.757 -19.060 349 HB3 ASN 42 3HB ASN 42 -18.409 19.491 -18.516 350 HD21 ASN 42 1HD2 ASN 42 -19.789 21.660 -20.085 351 HD22 ASN 42 2HD2 ASN 42 -18.791 21.877 -21.479 352 H THR 43 H THR 43 -18.699 16.864 -17.378 353 HA THR 43 HA THR 43 -21.420 15.856 -16.930 354 HB THR 43 HB THR 43 -19.868 14.863 -14.869 355 HG1 THR 43 HG1 THR 43 -17.935 15.487 -15.811 356 HG21 THR 43 3HG2 THR 43 -21.464 13.519 -16.009 357 HG22 THR 43 1HG2 THR 43 -19.898 12.743 -16.244 358 HG23 THR 43 2HG2 THR 43 -20.616 13.695 -17.544 359 H TRP 44 H TRP 44 -22.570 16.336 -15.079 360 HA TRP 44 HA TRP 44 -21.687 18.740 -13.671 361 HB2 TRP 44 2HB TRP 44 -24.384 17.451 -13.352 362 HB3 TRP 44 3HB TRP 44 -23.936 19.141 -13.137 363 HD1 TRP 44 HD1 TRP 44 -23.924 20.689 -15.278 364 HE1 TRP 44 HE1 TRP 44 -24.798 20.369 -17.678 365 HE3 TRP 44 HE3 TRP 44 -24.682 15.633 -15.200 366 HZ2 TRP 44 HZ2 TRP 44 -25.691 18.254 -19.320 367 HZ3 TRP 44 HZ3 TRP 44 -25.549 14.539 -17.226 368 HH2 TRP 44 HH2 TRP 44 -26.043 15.824 -19.242 369 H GLU 45 H GLU 45 -20.483 18.341 -11.926 370 HA GLU 45 HA GLU 45 -21.309 16.150 -10.137 371 HB2 GLU 45 2HB GLU 45 -18.599 17.343 -10.697 372 HB3 GLU 45 3HB GLU 45 -18.908 16.359 -9.273 373 HG2 GLU 45 2HG GLU 45 -19.856 15.073 -11.681 374 HG3 GLU 45 3HG GLU 45 -18.141 15.468 -11.778 375 H THR 46 H THR 46 -22.084 16.695 -8.213 376 HA THR 46 HA THR 46 -22.711 19.196 -7.354 377 HB THR 46 HB THR 46 -22.245 18.018 -4.943 378 HG1 THR 46 HG1 THR 46 -22.555 15.792 -5.208 379 HG21 THR 46 3HG2 THR 46 -24.544 17.488 -6.828 380 HG22 THR 46 1HG2 THR 46 -24.398 18.842 -5.709 381 HG23 THR 46 2HG2 THR 46 -24.571 17.200 -5.089 382 H GLU 47 H GLU 47 -21.841 20.672 -5.827 383 HA GLU 47 HA GLU 47 -19.142 21.306 -6.195 384 HB2 GLU 47 2HB GLU 47 -20.532 23.090 -5.579 385 HB3 GLU 47 3HB GLU 47 -21.218 22.209 -4.222 386 HG2 GLU 47 2HG GLU 47 -19.133 22.403 -3.005 387 HG3 GLU 47 3HG GLU 47 -18.388 23.219 -4.378 388 H ASP 48 H ASP 48 -20.666 19.141 -4.001 389 HA ASP 48 HA ASP 48 -18.302 19.005 -2.283 390 HB2 ASP 48 2HB ASP 48 -19.624 18.045 -0.669 391 HB3 ASP 48 3HB ASP 48 -20.844 18.975 -1.533 392 H ASP 49 H ASP 49 -19.224 17.722 -5.131 393 HA ASP 49 HA ASP 49 -17.808 15.191 -4.607 394 HB2 ASP 49 2HB ASP 49 -20.386 15.234 -5.268 395 HB3 ASP 49 3HB ASP 49 -19.715 15.379 -6.890 396 H ILE 50 H ILE 50 -17.724 18.122 -6.173 397 HA ILE 50 HA ILE 50 -16.158 17.132 -8.442 398 HB ILE 50 HB ILE 50 -17.906 18.795 -8.923 399 HG12 ILE 50 2HG1 ILE 50 -15.905 20.592 -9.682 400 HG13 ILE 50 3HG1 ILE 50 -15.092 19.034 -9.591 401 HG21 ILE 50 1HG2 ILE 50 -17.163 19.969 -6.583 402 HG22 ILE 50 2HG2 ILE 50 -16.431 21.047 -7.770 403 HG23 ILE 50 3HG2 ILE 50 -18.165 20.730 -7.818 404 HD11 ILE 50 3HD1 ILE 50 -17.537 19.685 -11.219 405 HD12 ILE 50 1HD1 ILE 50 -15.902 19.426 -11.825 406 HD13 ILE 50 2HD1 ILE 50 -16.792 18.091 -11.093 407 H ARG 51 H ARG 51 -15.890 19.082 -5.532 408 HA ARG 51 HA ARG 51 -13.185 19.897 -6.068 409 HB2 ARG 51 2HB ARG 51 -13.527 21.347 -4.395 410 HB3 ARG 51 3HB ARG 51 -15.192 20.779 -4.382 411 HG2 ARG 51 2HG ARG 51 -13.009 19.518 -2.745 412 HG3 ARG 51 3HG ARG 51 -14.040 20.824 -2.156 413 HD2 ARG 51 2HD ARG 51 -15.688 18.808 -3.311 414 HD3 ARG 51 3HD ARG 51 -14.565 18.041 -2.189 415 HE ARG 51 HE ARG 51 -15.957 20.388 -1.200 416 HH11 ARG 51 1HH1 ARG 51 -15.820 16.914 -1.395 417 HH12 ARG 51 2HH1 ARG 51 -16.827 16.667 -0.007 418 HH21 ARG 51 1HH2 ARG 51 -17.283 20.074 0.629 419 HH22 ARG 51 2HH2 ARG 51 -17.659 18.465 1.143 420 H THR 52 H THR 52 -14.686 17.123 -4.785 421 HA THR 52 HA THR 52 -12.397 16.305 -3.195 422 HB THR 52 HB THR 52 -14.645 15.745 -2.392 423 HG1 THR 52 HG1 THR 52 -14.216 13.370 -2.259 424 HG21 THR 52 3HG2 THR 52 -16.217 14.617 -3.583 425 HG22 THR 52 1HG2 THR 52 -15.025 13.641 -4.440 426 HG23 THR 52 2HG2 THR 52 -15.335 15.302 -4.948 427 H LYS 53 H LYS 53 -13.812 15.670 -6.328 428 HA LYS 53 HA LYS 53 -11.810 13.587 -6.848 429 HB2 LYS 53 2HB LYS 53 -14.093 14.356 -8.658 430 HB3 LYS 53 3HB LYS 53 -13.160 12.865 -8.662 431 HG2 LYS 53 2HG LYS 53 -15.142 13.750 -6.577 432 HG3 LYS 53 3HG LYS 53 -15.335 12.441 -7.744 433 HD2 LYS 53 2HD LYS 53 -13.229 12.538 -5.585 434 HD3 LYS 53 3HD LYS 53 -14.743 11.636 -5.482 435 HE2 LYS 53 2HE LYS 53 -13.832 9.933 -6.577 436 HE3 LYS 53 3HE LYS 53 -13.441 10.985 -7.936 437 HZ1 LYS 53 3HZ LYS 53 -11.309 11.051 -7.348 438 HZ2 LYS 53 1HZ LYS 53 -11.643 9.738 -6.334 439 HZ3 LYS 53 2HZ LYS 53 -11.658 11.311 -5.714 440 H TYR 54 H TYR 54 -12.895 16.754 -7.880 441 HA TYR 54 HA TYR 54 -10.521 16.932 -9.616 442 HB2 TYR 54 2HB TYR 54 -13.064 18.463 -10.129 443 HB3 TYR 54 3HB TYR 54 -11.709 18.199 -11.221 444 HD1 TYR 54 HD2 TYR 54 -11.271 15.735 -11.929 445 HD2 TYR 54 HD1 TYR 54 -14.945 17.108 -10.280 446 HE1 TYR 54 HE2 TYR 54 -12.424 13.790 -12.896 447 HE2 TYR 54 HE1 TYR 54 -16.109 15.166 -11.242 448 HH TYR 54 HH TYR 54 -15.649 12.958 -12.049 449 H GLY 55 H GLY 55 -10.813 17.639 -6.802 450 HA2 GLY 55 2HA GLY 55 -11.246 20.318 -6.283 451 HA3 GLY 55 3HA GLY 55 -10.083 19.323 -5.420 452 H ASP 56 H ASP 56 -8.668 18.886 -8.075 453 HA ASP 56 HA ASP 56 -6.670 20.815 -7.757 454 HB2 ASP 56 2HB ASP 56 -6.999 18.501 -9.261 455 HB3 ASP 56 3HB ASP 56 -6.812 19.768 -10.471 456 H LEU 57 H LEU 57 -9.154 20.571 -10.303 457 HA LEU 57 HA LEU 57 -8.509 23.210 -11.289 458 HB2 LEU 57 2HB LEU 57 -10.713 22.634 -12.642 459 HB3 LEU 57 3HB LEU 57 -9.139 21.968 -13.073 460 HG LEU 57 HG LEU 57 -10.823 20.383 -11.214 461 HD11 LEU 57 1HD1 LEU 57 -12.546 20.074 -12.573 462 HD12 LEU 57 2HD1 LEU 57 -11.471 19.687 -13.916 463 HD13 LEU 57 3HD1 LEU 57 -11.922 21.363 -13.603 464 HD21 LEU 57 3HD2 LEU 57 -9.140 19.636 -13.602 465 HD22 LEU 57 1HD2 LEU 57 -9.822 18.538 -12.402 466 HD23 LEU 57 2HD2 LEU 57 -8.564 19.683 -11.935 467 H VAL 58 H VAL 58 -10.995 21.688 -9.338 468 HA VAL 58 HA VAL 58 -12.941 23.665 -9.335 469 HB VAL 58 HB VAL 58 -12.115 21.896 -7.029 470 HG11 VAL 58 1HG1 VAL 58 -14.445 23.717 -7.460 471 HG12 VAL 58 2HG1 VAL 58 -14.634 22.257 -6.487 472 HG13 VAL 58 3HG1 VAL 58 -13.455 23.484 -6.019 473 HG21 VAL 58 3HG2 VAL 58 -13.013 20.208 -8.158 474 HG22 VAL 58 1HG2 VAL 58 -14.534 21.091 -8.291 475 HG23 VAL 58 2HG2 VAL 58 -13.294 21.279 -9.531 476 H ASP 59 H ASP 59 -9.969 23.428 -7.448 477 HA ASP 59 HA ASP 59 -10.553 25.802 -5.916 478 HB2 ASP 59 2HB ASP 59 -8.169 23.972 -6.116 479 HB3 ASP 59 3HB ASP 59 -8.101 25.476 -5.202 480 H ASP 60 H ASP 60 -9.909 25.496 -9.030 481 HA ASP 60 HA ASP 60 -8.184 27.885 -9.127 482 HB2 ASP 60 2HB ASP 60 -8.432 25.664 -11.168 483 HB3 ASP 60 3HB ASP 60 -7.458 27.118 -11.365 484 H PHE 61 H PHE 61 -11.215 26.532 -9.876 485 HA PHE 61 HA PHE 61 -11.822 28.593 -11.865 486 HB2 PHE 61 2HB PHE 61 -12.505 26.339 -12.457 487 HB3 PHE 61 3HB PHE 61 -13.402 26.182 -10.950 488 HD1 PHE 61 HD2 PHE 61 -13.301 27.904 -14.207 489 HD2 PHE 61 HD1 PHE 61 -15.597 27.031 -10.731 490 HE1 PHE 61 HE2 PHE 61 -15.311 28.785 -15.318 491 HE2 PHE 61 HE1 PHE 61 -17.611 27.910 -11.837 492 HZ PHE 61 HZ PHE 61 -17.470 28.790 -14.133 493 H GLU 62 H GLU 62 -13.082 27.315 -8.795 494 HA GLU 62 HA GLU 62 -14.953 29.476 -8.495 495 HB2 GLU 62 2HB GLU 62 -15.595 28.442 -6.455 496 HB3 GLU 62 3HB GLU 62 -15.272 27.139 -7.591 497 HG2 GLU 62 2HG GLU 62 -14.143 26.298 -5.837 498 HG3 GLU 62 3HG GLU 62 -12.857 27.325 -6.470 499 H LYS 63 H LYS 63 -11.747 28.695 -7.303 500 HA LYS 63 HA LYS 63 -11.642 30.769 -5.349 501 HB2 LYS 63 2HB LYS 63 -9.381 29.294 -6.713 502 HB3 LYS 63 3HB LYS 63 -9.238 30.277 -5.262 503 HG2 LYS 63 2HG LYS 63 -10.977 27.830 -5.451 504 HG3 LYS 63 3HG LYS 63 -9.310 27.812 -4.872 505 HD2 LYS 63 2HD LYS 63 -11.529 29.474 -3.680 506 HD3 LYS 63 3HD LYS 63 -10.981 27.921 -3.044 507 HE2 LYS 63 2HE LYS 63 -8.637 29.298 -3.254 508 HE3 LYS 63 3HE LYS 63 -9.770 30.583 -2.838 509 HZ1 LYS 63 3HZ LYS 63 -9.525 29.915 -0.748 510 HZ2 LYS 63 1HZ LYS 63 -8.719 28.497 -1.199 511 HZ3 LYS 63 2HZ LYS 63 -10.409 28.530 -1.151 512 H ASN 64 H ASN 64 -11.601 30.831 -8.693 513 HA ASN 64 HA ASN 64 -9.950 33.247 -8.834 514 HB2 ASN 64 2HB ASN 64 -10.989 31.321 -10.897 515 HB3 ASN 64 3HB ASN 64 -10.415 32.918 -11.365 516 HD21 ASN 64 1HD2 ASN 64 -9.215 30.742 -8.857 517 HD22 ASN 64 2HD2 ASN 64 -7.631 30.561 -9.524 518 H GLN 65 H GLN 65 -13.203 32.071 -9.597 519 HA GLN 65 HA GLN 65 -14.110 34.707 -10.358 520 HB2 GLN 65 2HB GLN 65 -16.143 33.695 -10.951 521 HB3 GLN 65 3HB GLN 65 -14.926 32.486 -11.340 522 HG2 GLN 65 2HG GLN 65 -15.444 31.604 -8.943 523 HG3 GLN 65 3HG GLN 65 -16.945 32.506 -9.149 524 HE21 GLN 65 1HE2 GLN 65 -17.408 32.126 -11.834 525 HE22 GLN 65 2HE2 GLN 65 -17.734 30.455 -12.129 526 H LYS 66 H LYS 66 -13.543 33.203 -7.465 527 HA LYS 66 HA LYS 66 -15.761 33.812 -5.886 528 HB2 LYS 66 2HB LYS 66 -14.139 33.822 -3.983 529 HB3 LYS 66 3HB LYS 66 -14.024 32.404 -5.017 530 HG2 LYS 66 2HG LYS 66 -11.814 32.933 -4.701 531 HG3 LYS 66 3HG LYS 66 -12.162 33.763 -6.220 532 HD2 LYS 66 2HD LYS 66 -11.780 35.773 -5.318 533 HD3 LYS 66 3HD LYS 66 -12.749 35.402 -3.889 534 HE2 LYS 66 2HE LYS 66 -10.779 34.027 -3.084 535 HE3 LYS 66 3HE LYS 66 -9.850 34.764 -4.388 536 HZ1 LYS 66 3HZ LYS 66 -10.347 35.804 -1.862 537 HZ2 LYS 66 1HZ LYS 66 -11.210 36.770 -2.951 538 HZ3 LYS 66 2HZ LYS 66 -9.544 36.555 -3.148 539 H LYS 67 H LYS 67 -13.258 35.851 -7.162 540 HA LYS 67 HA LYS 67 -14.680 38.222 -6.583 541 HB2 LYS 67 2HB LYS 67 -13.426 37.394 -4.354 542 HB3 LYS 67 3HB LYS 67 -12.111 38.293 -5.099 543 HG2 LYS 67 2HG LYS 67 -13.156 40.304 -4.852 544 HG3 LYS 67 3HG LYS 67 -14.772 39.599 -4.927 545 HD2 LYS 67 2HD LYS 67 -13.852 38.469 -2.653 546 HD3 LYS 67 3HD LYS 67 -12.979 40.003 -2.620 547 HE2 LYS 67 2HE LYS 67 -14.961 41.255 -2.601 548 HE3 LYS 67 3HE LYS 67 -15.935 39.885 -3.131 549 HZ1 LYS 67 3HZ LYS 67 -16.061 39.051 -1.049 550 HZ2 LYS 67 1HZ LYS 67 -15.832 40.670 -0.618 551 HZ3 LYS 67 2HZ LYS 67 -14.525 39.597 -0.596 Start of MODEL 17 1 H1 MET 1 H MET 1 2.254 -1.088 -7.150 2 HA MET 1 HA MET 1 0.324 0.367 -7.384 3 HB2 MET 1 2HB MET 1 1.251 1.234 -4.650 4 HB3 MET 1 3HB MET 1 0.130 2.191 -5.608 5 HG2 MET 1 2HG MET 1 -1.589 0.753 -5.298 6 HG3 MET 1 3HG MET 1 -0.539 -0.660 -5.224 7 HE1 MET 1 3HE MET 1 -2.615 -0.448 -1.824 8 HE2 MET 1 1HE MET 1 -3.027 -0.269 -3.530 9 HE3 MET 1 2HE MET 1 -2.047 -1.636 -2.999 10 H HIS 2 H HIS 2 2.085 0.627 -9.038 11 HA HIS 2 HA HIS 2 4.098 2.582 -8.747 12 HB2 HIS 2 2HB HIS 2 2.936 1.011 -10.953 13 HB3 HIS 2 3HB HIS 2 3.630 2.557 -11.434 14 HD1 HIS 2 HD1 HIS 2 5.947 2.253 -12.204 15 HD2 HIS 2 HD2 HIS 2 5.019 -0.330 -9.084 16 HE1 HIS 2 HE1 HIS 2 8.047 0.939 -11.772 17 H HIS 3 H HIS 3 1.284 2.843 -10.914 18 HA HIS 3 HA HIS 3 0.046 4.634 -11.579 19 HB2 HIS 3 2HB HIS 3 0.580 5.588 -8.758 20 HB3 HIS 3 3HB HIS 3 -0.694 6.176 -9.822 21 HD1 HIS 3 HD1 HIS 3 -2.084 3.768 -10.789 22 HD2 HIS 3 HD2 HIS 3 -0.587 4.002 -6.920 23 HE1 HIS 3 HE1 HIS 3 -3.387 2.077 -9.460 24 H HIS 4 H HIS 4 1.592 5.341 -13.107 25 HA HIS 4 HA HIS 4 2.630 7.985 -12.531 26 HB2 HIS 4 2HB HIS 4 4.517 6.620 -11.862 27 HB3 HIS 4 3HB HIS 4 4.442 5.714 -13.371 28 HD1 HIS 4 HD1 HIS 4 6.678 6.340 -14.334 29 HD2 HIS 4 HD2 HIS 4 4.443 9.650 -13.189 30 HE1 HIS 4 HE1 HIS 4 7.935 8.335 -15.209 31 H HIS 5 H HIS 5 1.680 9.081 -14.123 32 HA HIS 5 HA HIS 5 2.438 8.811 -16.802 33 HB2 HIS 5 2HB HIS 5 0.155 8.128 -17.714 34 HB3 HIS 5 3HB HIS 5 1.136 6.847 -17.008 35 HD1 HIS 5 HD1 HIS 5 -0.299 5.305 -15.734 36 HD2 HIS 5 HD2 HIS 5 -1.588 9.239 -15.383 37 HE1 HIS 5 HE1 HIS 5 -2.292 5.226 -14.203 38 H HIS 6 H HIS 6 0.623 10.000 -18.252 39 HA HIS 6 HA HIS 6 -0.409 11.973 -18.716 40 HB2 HIS 6 2HB HIS 6 -1.543 11.076 -16.269 41 HB3 HIS 6 3HB HIS 6 -1.308 12.817 -16.136 42 HD1 HIS 6 HD1 HIS 6 -3.469 10.278 -17.668 43 HD2 HIS 6 HD2 HIS 6 -2.704 14.331 -18.161 44 HE1 HIS 6 HE1 HIS 6 -5.384 11.161 -19.037 45 H HIS 7 H HIS 7 -0.636 14.369 -17.554 46 HA HIS 7 HA HIS 7 1.987 15.402 -17.647 47 HB2 HIS 7 2HB HIS 7 -0.703 16.532 -16.979 48 HB3 HIS 7 3HB HIS 7 0.737 17.486 -16.637 49 HD1 HIS 7 HD1 HIS 7 1.402 18.977 -18.483 50 HD2 HIS 7 HD2 HIS 7 -0.655 15.642 -19.865 51 HE1 HIS 7 HE1 HIS 7 1.196 19.297 -20.969 52 H GLU 8 H GLU 8 -0.235 15.866 -14.910 53 HA GLU 8 HA GLU 8 1.829 14.958 -13.059 54 HB2 GLU 8 2HB GLU 8 0.751 17.756 -13.201 55 HB3 GLU 8 3HB GLU 8 1.296 17.088 -11.669 56 HG2 GLU 8 2HG GLU 8 3.341 17.734 -12.198 57 HG3 GLU 8 3HG GLU 8 3.339 16.515 -13.471 58 H VAL 9 H VAL 9 -0.494 13.640 -13.672 59 HA VAL 9 HA VAL 9 -1.952 13.848 -11.136 60 HB VAL 9 HB VAL 9 -3.336 13.478 -13.796 61 HG11 VAL 9 1HG1 VAL 9 -4.125 13.041 -11.049 62 HG12 VAL 9 2HG1 VAL 9 -5.170 14.220 -11.844 63 HG13 VAL 9 3HG1 VAL 9 -4.960 12.614 -12.543 64 HG21 VAL 9 3HG2 VAL 9 -4.344 15.735 -13.202 65 HG22 VAL 9 1HG2 VAL 9 -3.035 15.893 -12.031 66 HG23 VAL 9 2HG2 VAL 9 -2.667 15.739 -13.749 67 HA PRO 10 HA PRO 10 -0.630 9.508 -12.287 68 HB2 PRO 10 2HB PRO 10 0.684 9.010 -9.964 69 HB3 PRO 10 3HB PRO 10 1.460 9.757 -11.366 70 HG2 PRO 10 2HG PRO 10 0.362 11.047 -8.898 71 HG3 PRO 10 3HG PRO 10 1.876 11.384 -9.757 72 HD2 PRO 10 2HD PRO 10 -0.334 12.923 -10.040 73 HD3 PRO 10 3HD PRO 10 0.827 12.668 -11.359 74 H GLN 11 H GLN 11 -3.164 9.856 -11.790 75 HA GLN 11 HA GLN 11 -3.742 7.959 -9.652 76 HB2 GLN 11 2HB GLN 11 -4.931 10.720 -9.853 77 HB3 GLN 11 3HB GLN 11 -5.729 9.417 -8.982 78 HG2 GLN 11 2HG GLN 11 -4.559 9.990 -7.198 79 HG3 GLN 11 3HG GLN 11 -3.112 9.425 -8.031 80 HE21 GLN 11 1HE2 GLN 11 -2.904 11.355 -10.001 81 HE22 GLN 11 2HE2 GLN 11 -2.535 12.874 -9.267 82 H THR 12 H THR 12 -4.943 9.853 -12.383 83 HA THR 12 HA THR 12 -6.237 7.550 -13.500 84 HB THR 12 HB THR 12 -8.097 9.836 -12.910 85 HG1 THR 12 HG1 THR 12 -8.849 8.371 -11.162 86 HG21 THR 12 3HG2 THR 12 -8.858 6.961 -13.188 87 HG22 THR 12 1HG2 THR 12 -8.455 7.891 -14.631 88 HG23 THR 12 2HG2 THR 12 -9.779 8.410 -13.589 89 H PHE 13 H PHE 13 -6.507 11.109 -13.612 90 HA PHE 13 HA PHE 13 -5.148 11.437 -16.028 91 HB2 PHE 13 2HB PHE 13 -7.153 11.972 -17.494 92 HB3 PHE 13 3HB PHE 13 -6.868 10.265 -17.174 93 HD1 PHE 13 HD1 PHE 13 -8.770 13.140 -15.749 94 HD2 PHE 13 HD2 PHE 13 -8.665 8.968 -16.584 95 HE1 PHE 13 HE1 PHE 13 -11.074 12.918 -14.913 96 HE2 PHE 13 HE2 PHE 13 -10.969 8.739 -15.751 97 HZ PHE 13 HZ PHE 13 -12.176 10.716 -14.914 98 H GLU 14 H GLU 14 -6.136 13.605 -17.166 99 HA GLU 14 HA GLU 14 -6.546 15.503 -14.948 100 HB2 GLU 14 2HB GLU 14 -4.413 15.388 -16.734 101 HB3 GLU 14 3HB GLU 14 -5.425 16.684 -17.355 102 HG2 GLU 14 2HG GLU 14 -5.196 16.965 -14.529 103 HG3 GLU 14 3HG GLU 14 -3.588 16.767 -15.222 104 H VAL 15 H VAL 15 -7.661 17.517 -15.550 105 HA VAL 15 HA VAL 15 -9.631 17.068 -17.698 106 HB VAL 15 HB VAL 15 -10.096 18.476 -15.065 107 HG11 VAL 15 1HG1 VAL 15 -12.547 18.018 -16.155 108 HG12 VAL 15 2HG1 VAL 15 -11.667 19.544 -16.261 109 HG13 VAL 15 3HG1 VAL 15 -11.587 18.384 -17.588 110 HG21 VAL 15 3HG2 VAL 15 -10.702 15.725 -16.049 111 HG22 VAL 15 1HG2 VAL 15 -10.133 16.256 -14.466 112 HG23 VAL 15 2HG2 VAL 15 -11.817 16.507 -14.927 113 H GLU 16 H GLU 16 -10.268 18.837 -18.930 114 HA GLU 16 HA GLU 16 -8.336 20.780 -19.469 115 HB2 GLU 16 2HB GLU 16 -10.935 20.057 -20.463 116 HB3 GLU 16 3HB GLU 16 -10.821 21.806 -20.327 117 HG2 GLU 16 2HG GLU 16 -8.563 20.362 -21.597 118 HG3 GLU 16 3HG GLU 16 -10.068 20.515 -22.501 119 H ARG 17 H ARG 17 -11.605 21.466 -18.221 120 HA ARG 17 HA ARG 17 -10.744 22.995 -16.018 121 HB2 ARG 17 2HB ARG 17 -10.797 25.179 -16.727 122 HB3 ARG 17 3HB ARG 17 -10.152 24.405 -18.168 123 HG2 ARG 17 2HG ARG 17 -13.017 25.203 -17.701 124 HG3 ARG 17 3HG ARG 17 -11.859 26.006 -18.763 125 HD2 ARG 17 2HD ARG 17 -11.739 23.447 -19.672 126 HD3 ARG 17 3HD ARG 17 -13.426 23.557 -19.174 127 HE ARG 17 HE ARG 17 -13.817 25.019 -20.903 128 HH11 ARG 17 1HH1 ARG 17 -10.388 24.583 -20.489 129 HH12 ARG 17 2HH1 ARG 17 -9.974 25.408 -21.955 130 HH21 ARG 17 1HH2 ARG 17 -13.284 26.108 -22.836 131 HH22 ARG 17 2HH2 ARG 17 -11.622 26.276 -23.289 132 H ILE 18 H ILE 18 -12.570 24.261 -15.046 133 HA ILE 18 HA ILE 18 -14.929 22.672 -15.051 134 HB ILE 18 HB ILE 18 -14.545 25.399 -13.812 135 HG12 ILE 18 2HG1 ILE 18 -12.897 23.470 -13.211 136 HG13 ILE 18 3HG1 ILE 18 -13.641 24.399 -11.914 137 HG21 ILE 18 1HG2 ILE 18 -16.858 24.831 -13.884 138 HG22 ILE 18 2HG2 ILE 18 -16.533 23.192 -13.323 139 HG23 ILE 18 3HG2 ILE 18 -16.298 24.559 -12.234 140 HD11 ILE 18 3HD1 ILE 18 -14.826 21.827 -12.886 141 HD12 ILE 18 1HD1 ILE 18 -13.554 21.869 -11.666 142 HD13 ILE 18 2HD1 ILE 18 -15.098 22.664 -11.358 143 H VAL 19 H VAL 19 -16.420 22.723 -16.590 144 HA VAL 19 HA VAL 19 -16.697 24.724 -18.529 145 HB VAL 19 HB VAL 19 -18.897 22.847 -17.672 146 HG11 VAL 19 1HG1 VAL 19 -18.381 23.541 -20.500 147 HG12 VAL 19 2HG1 VAL 19 -19.908 23.297 -19.650 148 HG13 VAL 19 3HG1 VAL 19 -19.034 24.819 -19.475 149 HG21 VAL 19 3HG2 VAL 19 -17.638 21.650 -19.799 150 HG22 VAL 19 1HG2 VAL 19 -16.291 22.269 -18.845 151 HG23 VAL 19 2HG2 VAL 19 -17.467 21.182 -18.107 152 H ARG 20 H ARG 20 -18.922 23.971 -15.838 153 HA ARG 20 HA ARG 20 -19.357 26.771 -15.320 154 HB2 ARG 20 2HB ARG 20 -21.791 26.701 -15.708 155 HB3 ARG 20 3HB ARG 20 -20.878 26.469 -17.192 156 HG2 ARG 20 2HG ARG 20 -21.617 24.003 -15.775 157 HG3 ARG 20 3HG ARG 20 -22.961 24.938 -16.433 158 HD2 ARG 20 2HD ARG 20 -20.911 24.859 -18.391 159 HD3 ARG 20 3HD ARG 20 -21.151 23.217 -17.794 160 HE ARG 20 HE ARG 20 -23.241 23.196 -18.759 161 HH11 ARG 20 1HH1 ARG 20 -21.954 26.430 -18.799 162 HH12 ARG 20 2HH1 ARG 20 -23.187 27.048 -19.848 163 HH21 ARG 20 1HH2 ARG 20 -24.870 23.997 -20.140 164 HH22 ARG 20 2HH2 ARG 20 -24.846 25.663 -20.609 165 H LYS 21 H LYS 21 -21.600 26.714 -13.815 166 HA LYS 21 HA LYS 21 -21.555 24.462 -12.004 167 HB2 LYS 21 2HB LYS 21 -20.867 25.648 -10.048 168 HB3 LYS 21 3HB LYS 21 -19.643 25.923 -11.281 169 HG2 LYS 21 2HG LYS 21 -20.352 28.131 -11.646 170 HG3 LYS 21 3HG LYS 21 -21.872 27.871 -10.786 171 HD2 LYS 21 2HD LYS 21 -20.023 27.255 -8.871 172 HD3 LYS 21 3HD LYS 21 -19.212 28.548 -9.757 173 HE2 LYS 21 2HE LYS 21 -21.913 28.637 -8.427 174 HE3 LYS 21 3HE LYS 21 -20.468 29.547 -7.989 175 HZ1 LYS 21 3HZ LYS 21 -22.166 29.888 -10.392 176 HZ2 LYS 21 1HZ LYS 21 -20.631 30.585 -10.254 177 HZ3 LYS 21 2HZ LYS 21 -21.856 31.016 -9.170 178 H LYS 22 H LYS 22 -23.250 24.559 -10.401 179 HA LYS 22 HA LYS 22 -25.116 26.682 -10.275 180 HB2 LYS 22 2HB LYS 22 -26.953 25.829 -11.508 181 HB3 LYS 22 3HB LYS 22 -25.565 25.746 -12.586 182 HG2 LYS 22 2HG LYS 22 -26.118 23.631 -12.952 183 HG3 LYS 22 3HG LYS 22 -25.574 23.289 -11.308 184 HD2 LYS 22 2HD LYS 22 -27.659 22.580 -10.925 185 HD3 LYS 22 3HD LYS 22 -28.119 24.284 -10.940 186 HE2 LYS 22 2HE LYS 22 -28.216 23.878 -13.543 187 HE3 LYS 22 3HE LYS 22 -28.443 22.202 -13.045 188 HZ1 LYS 22 3HZ LYS 22 -30.408 22.729 -11.929 189 HZ2 LYS 22 1HZ LYS 22 -30.510 23.612 -13.369 190 HZ3 LYS 22 2HZ LYS 22 -30.088 24.390 -11.928 191 H ILE 23 H ILE 23 -26.603 26.391 -8.637 192 HA ILE 23 HA ILE 23 -26.310 23.887 -7.114 193 HB ILE 23 HB ILE 23 -26.617 25.044 -5.121 194 HG12 ILE 23 2HG1 ILE 23 -27.257 27.648 -5.438 195 HG13 ILE 23 3HG1 ILE 23 -28.089 26.967 -6.832 196 HG21 ILE 23 1HG2 ILE 23 -24.604 25.803 -6.766 197 HG22 ILE 23 2HG2 ILE 23 -25.324 27.364 -6.375 198 HG23 ILE 23 3HG2 ILE 23 -24.757 26.307 -5.083 199 HD11 ILE 23 3HD1 ILE 23 -28.616 25.360 -4.531 200 HD12 ILE 23 1HD1 ILE 23 -28.958 27.052 -4.169 201 HD13 ILE 23 2HD1 ILE 23 -29.739 26.268 -5.543 202 H VAL 24 H VAL 24 -28.145 22.938 -6.157 203 HA VAL 24 HA VAL 24 -30.755 23.931 -7.061 204 HB VAL 24 HB VAL 24 -30.477 20.998 -7.078 205 HG11 VAL 24 1HG1 VAL 24 -32.222 21.109 -8.507 206 HG12 VAL 24 2HG1 VAL 24 -32.388 22.733 -7.837 207 HG13 VAL 24 3HG1 VAL 24 -31.561 22.494 -9.377 208 HG21 VAL 24 3HG2 VAL 24 -29.490 20.988 -9.357 209 HG22 VAL 24 1HG2 VAL 24 -29.135 22.705 -9.170 210 HG23 VAL 24 2HG2 VAL 24 -28.366 21.525 -8.109 211 H HIS 25 H HIS 25 -32.097 24.107 -5.401 212 HA HIS 25 HA HIS 25 -33.055 23.856 -3.352 213 HB2 HIS 25 2HB HIS 25 -33.042 21.383 -4.489 214 HB3 HIS 25 3HB HIS 25 -32.173 21.064 -2.991 215 HD1 HIS 25 HD1 HIS 25 -35.452 20.955 -4.261 216 HD2 HIS 25 HD2 HIS 25 -33.795 22.310 -0.701 217 HE1 HIS 25 HE1 HIS 25 -37.351 21.010 -2.613 218 H GLY 26 H GLY 26 -30.118 24.473 -3.627 219 HA2 GLY 26 2HA GLY 26 -28.761 25.284 -1.855 220 HA3 GLY 26 3HA GLY 26 -29.485 24.088 -0.790 221 H ASN 27 H ASN 27 -28.765 22.614 -3.676 222 HA ASN 27 HA ASN 27 -26.261 21.548 -2.564 223 HB2 ASN 27 2HB ASN 27 -28.242 20.346 -4.506 224 HB3 ASN 27 3HB ASN 27 -26.696 19.606 -4.100 225 HD21 ASN 27 1HD2 ASN 27 -29.656 18.977 -3.630 226 HD22 ASN 27 2HD2 ASN 27 -29.711 18.546 -1.958 227 H THR 28 H THR 28 -24.569 22.594 -3.404 228 HA THR 28 HA THR 28 -24.558 23.833 -5.956 229 HB THR 28 HB THR 28 -22.084 23.066 -4.414 230 HG1 THR 28 HG1 THR 28 -22.496 24.627 -2.999 231 HG21 THR 28 3HG2 THR 28 -21.490 25.434 -5.343 232 HG22 THR 28 1HG2 THR 28 -22.795 25.107 -6.483 233 HG23 THR 28 2HG2 THR 28 -21.402 24.029 -6.406 234 H SER 29 H SER 29 -23.558 23.233 -7.866 235 HA SER 29 HA SER 29 -22.407 20.550 -8.039 236 HB2 SER 29 2HB SER 29 -24.669 21.520 -9.803 237 HB3 SER 29 3HB SER 29 -23.787 20.008 -10.013 238 HG SER 29 HG SER 29 -25.244 19.227 -8.720 239 H TYR 30 H TYR 30 -20.564 20.627 -9.126 240 HA TYR 30 HA TYR 30 -20.052 22.927 -10.873 241 HB2 TYR 30 2HB TYR 30 -18.295 21.074 -9.306 242 HB3 TYR 30 3HB TYR 30 -17.633 21.929 -10.695 243 HD1 TYR 30 HD1 TYR 30 -20.005 22.966 -7.997 244 HD2 TYR 30 HD2 TYR 30 -16.286 23.649 -9.948 245 HE1 TYR 30 HE1 TYR 30 -19.640 24.952 -6.592 246 HE2 TYR 30 HE2 TYR 30 -15.909 25.635 -8.547 247 HH TYR 30 HH TYR 30 -18.181 27.205 -6.935 248 H LEU 31 H LEU 31 -20.130 22.670 -12.996 249 HA LEU 31 HA LEU 31 -20.159 19.978 -14.118 250 HB2 LEU 31 2HB LEU 31 -21.821 21.881 -14.661 251 HB3 LEU 31 3HB LEU 31 -20.526 22.508 -15.680 252 HG LEU 31 HG LEU 31 -20.639 20.660 -17.137 253 HD11 LEU 31 1HD1 LEU 31 -21.869 19.331 -14.822 254 HD12 LEU 31 2HD1 LEU 31 -20.819 18.684 -16.082 255 HD13 LEU 31 3HD1 LEU 31 -22.542 18.893 -16.393 256 HD21 LEU 31 3HD2 LEU 31 -22.999 22.152 -16.495 257 HD22 LEU 31 1HD2 LEU 31 -23.445 20.540 -17.053 258 HD23 LEU 31 2HD2 LEU 31 -22.436 21.575 -18.064 259 H VAL 32 H VAL 32 -18.313 19.110 -14.765 260 HA VAL 32 HA VAL 32 -16.288 20.863 -15.998 261 HB VAL 32 HB VAL 32 -15.680 19.947 -13.705 262 HG11 VAL 32 1HG1 VAL 32 -14.946 17.644 -13.570 263 HG12 VAL 32 2HG1 VAL 32 -16.643 17.704 -14.050 264 HG13 VAL 32 3HG1 VAL 32 -15.396 17.374 -15.253 265 HG21 VAL 32 3HG2 VAL 32 -14.007 19.504 -16.158 266 HG22 VAL 32 1HG2 VAL 32 -13.922 20.815 -14.982 267 HG23 VAL 32 2HG2 VAL 32 -13.375 19.198 -14.541 268 H LYS 33 H LYS 33 -15.219 20.097 -17.800 269 HA LYS 33 HA LYS 33 -16.517 17.849 -19.142 270 HB2 LYS 33 2HB LYS 33 -15.391 18.694 -21.170 271 HB3 LYS 33 3HB LYS 33 -16.384 19.924 -20.398 272 HG2 LYS 33 2HG LYS 33 -14.331 20.839 -19.343 273 HG3 LYS 33 3HG LYS 33 -13.386 19.677 -20.277 274 HD2 LYS 33 2HD LYS 33 -13.285 21.582 -21.594 275 HD3 LYS 33 3HD LYS 33 -14.626 20.690 -22.319 276 HE2 LYS 33 2HE LYS 33 -16.229 22.058 -21.166 277 HE3 LYS 33 3HE LYS 33 -14.953 22.856 -20.247 278 HZ1 LYS 33 3HZ LYS 33 -15.489 23.079 -23.154 279 HZ2 LYS 33 1HZ LYS 33 -14.077 23.662 -22.425 280 HZ3 LYS 33 2HZ LYS 33 -15.581 24.303 -21.991 281 H TRP 34 H TRP 34 -14.538 17.097 -20.912 282 HA TRP 34 HA TRP 34 -12.362 16.108 -19.200 283 HB2 TRP 34 2HB TRP 34 -13.435 14.277 -21.287 284 HB3 TRP 34 3HB TRP 34 -12.706 13.903 -19.728 285 HD1 TRP 34 HD1 TRP 34 -14.486 14.928 -17.594 286 HE1 TRP 34 HE1 TRP 34 -16.977 14.321 -17.372 287 HE3 TRP 34 HE3 TRP 34 -15.399 13.477 -22.410 288 HZ2 TRP 34 HZ2 TRP 34 -19.054 13.354 -19.021 289 HZ3 TRP 34 HZ3 TRP 34 -17.664 12.725 -23.006 290 HH2 TRP 34 HH2 TRP 34 -19.453 12.665 -21.345 291 H LYS 35 H LYS 35 -10.913 17.557 -20.125 292 HA LYS 35 HA LYS 35 -9.416 18.363 -21.639 293 HB2 LYS 35 2HB LYS 35 -9.018 15.766 -21.583 294 HB3 LYS 35 3HB LYS 35 -9.662 15.832 -23.218 295 HG2 LYS 35 2HG LYS 35 -7.745 16.598 -24.029 296 HG3 LYS 35 3HG LYS 35 -7.649 17.860 -22.799 297 HD2 LYS 35 2HD LYS 35 -6.365 16.589 -21.400 298 HD3 LYS 35 3HD LYS 35 -7.054 15.068 -21.973 299 HE2 LYS 35 2HE LYS 35 -5.335 16.738 -23.768 300 HE3 LYS 35 3HE LYS 35 -4.605 15.660 -22.579 301 HZ1 LYS 35 3HZ LYS 35 -4.807 14.111 -24.148 302 HZ2 LYS 35 1HZ LYS 35 -5.882 15.034 -25.072 303 HZ3 LYS 35 2HZ LYS 35 -6.460 14.096 -23.788 304 H ASN 36 H ASN 36 -12.209 18.892 -22.139 305 HA ASN 36 HA ASN 36 -13.510 19.883 -23.720 306 HB2 ASN 36 2HB ASN 36 -10.790 20.272 -24.631 307 HB3 ASN 36 3HB ASN 36 -11.892 20.124 -25.997 308 HD21 ASN 36 1HD2 ASN 36 -11.574 21.765 -22.875 309 HD22 ASN 36 2HD2 ASN 36 -12.301 23.247 -23.386 310 H TYR 37 H TYR 37 -12.812 16.874 -23.697 311 HA TYR 37 HA TYR 37 -13.119 15.918 -26.338 312 HB2 TYR 37 2HB TYR 37 -12.219 14.462 -24.645 313 HB3 TYR 37 3HB TYR 37 -13.673 14.618 -23.666 314 HD1 TYR 37 HD1 TYR 37 -15.766 13.509 -24.372 315 HD2 TYR 37 HD2 TYR 37 -12.117 12.931 -26.483 316 HE1 TYR 37 HE1 TYR 37 -16.720 11.524 -25.466 317 HE2 TYR 37 HE2 TYR 37 -13.062 10.945 -27.584 318 HH TYR 37 HH TYR 37 -15.676 9.336 -26.544 319 H SER 38 H SER 38 -15.343 17.186 -24.045 320 HA SER 38 HA SER 38 -17.484 17.166 -25.915 321 HB2 SER 38 2HB SER 38 -17.451 15.092 -23.753 322 HB3 SER 38 3HB SER 38 -18.989 15.804 -24.242 323 HG SER 38 HG SER 38 -18.272 13.845 -25.395 324 H SER 39 H SER 39 -16.861 19.389 -25.115 325 HA SER 39 HA SER 39 -17.283 20.362 -22.579 326 HB2 SER 39 2HB SER 39 -16.386 21.713 -24.439 327 HB3 SER 39 3HB SER 39 -17.987 21.754 -25.176 328 HG SER 39 HG SER 39 -18.650 23.151 -23.705 329 H LYS 40 H LYS 40 -19.639 19.390 -24.950 330 HA LYS 40 HA LYS 40 -21.878 20.619 -23.643 331 HB2 LYS 40 2HB LYS 40 -21.734 18.472 -25.766 332 HB3 LYS 40 3HB LYS 40 -23.224 19.226 -25.214 333 HG2 LYS 40 2HG LYS 40 -22.731 20.388 -27.150 334 HG3 LYS 40 3HG LYS 40 -22.095 21.442 -25.885 335 HD2 LYS 40 2HD LYS 40 -19.987 21.211 -26.608 336 HD3 LYS 40 3HD LYS 40 -20.160 19.467 -26.820 337 HE2 LYS 40 2HE LYS 40 -21.410 21.398 -28.744 338 HE3 LYS 40 3HE LYS 40 -19.718 20.928 -28.897 339 HZ1 LYS 40 3HZ LYS 40 -20.500 19.219 -30.066 340 HZ2 LYS 40 1HZ LYS 40 -22.090 19.447 -29.537 341 HZ3 LYS 40 2HZ LYS 40 -21.003 18.560 -28.592 342 H ASP 41 H ASP 41 -20.888 17.218 -24.076 343 HA ASP 41 HA ASP 41 -22.780 16.113 -22.339 344 HB2 ASP 41 2HB ASP 41 -21.254 14.923 -24.021 345 HB3 ASP 41 3HB ASP 41 -20.029 14.958 -22.756 346 H ASN 42 H ASN 42 -19.303 16.583 -21.677 347 HA ASN 42 HA ASN 42 -18.179 16.648 -19.677 348 HB2 ASN 42 2HB ASN 42 -18.798 18.560 -18.303 349 HB3 ASN 42 3HB ASN 42 -18.947 18.980 -20.008 350 HD21 ASN 42 1HD2 ASN 42 -20.522 20.430 -20.074 351 HD22 ASN 42 2HD2 ASN 42 -22.106 20.221 -19.415 352 H THR 43 H THR 43 -19.009 17.165 -17.077 353 HA THR 43 HA THR 43 -21.050 15.202 -16.404 354 HB THR 43 HB THR 43 -19.311 14.284 -14.644 355 HG1 THR 43 HG1 THR 43 -17.673 15.788 -15.571 356 HG21 THR 43 3HG2 THR 43 -20.243 13.429 -17.194 357 HG22 THR 43 1HG2 THR 43 -19.748 12.444 -15.819 358 HG23 THR 43 2HG2 THR 43 -18.559 12.934 -17.026 359 H TRP 44 H TRP 44 -21.996 15.542 -14.423 360 HA TRP 44 HA TRP 44 -21.369 18.087 -13.160 361 HB2 TRP 44 2HB TRP 44 -23.613 16.214 -12.413 362 HB3 TRP 44 3HB TRP 44 -23.501 17.948 -12.122 363 HD1 TRP 44 HD1 TRP 44 -24.207 19.571 -14.086 364 HE1 TRP 44 HE1 TRP 44 -25.427 19.190 -16.321 365 HE3 TRP 44 HE3 TRP 44 -23.868 14.476 -14.338 366 HZ2 TRP 44 HZ2 TRP 44 -26.151 17.017 -17.971 367 HZ3 TRP 44 HZ3 TRP 44 -24.850 13.323 -16.277 368 HH2 TRP 44 HH2 TRP 44 -25.968 14.569 -18.054 369 H GLU 45 H GLU 45 -20.413 18.322 -11.232 370 HA GLU 45 HA GLU 45 -20.206 16.008 -9.447 371 HB2 GLU 45 2HB GLU 45 -17.891 17.656 -10.463 372 HB3 GLU 45 3HB GLU 45 -17.787 16.627 -9.042 373 HG2 GLU 45 2HG GLU 45 -18.859 15.245 -11.364 374 HG3 GLU 45 3HG GLU 45 -17.237 15.883 -11.624 375 H THR 46 H THR 46 -20.806 16.556 -7.466 376 HA THR 46 HA THR 46 -21.683 18.988 -6.618 377 HB THR 46 HB THR 46 -20.708 18.027 -4.262 378 HG1 THR 46 HG1 THR 46 -21.039 15.662 -4.566 379 HG21 THR 46 3HG2 THR 46 -22.896 16.767 -4.130 380 HG22 THR 46 1HG2 THR 46 -23.163 17.221 -5.813 381 HG23 THR 46 2HG2 THR 46 -23.023 18.469 -4.575 382 H GLU 47 H GLU 47 -20.845 20.684 -5.343 383 HA GLU 47 HA GLU 47 -18.337 21.651 -6.107 384 HB2 GLU 47 2HB GLU 47 -19.880 23.268 -5.402 385 HB3 GLU 47 3HB GLU 47 -20.252 22.401 -3.918 386 HG2 GLU 47 2HG GLU 47 -18.080 22.966 -3.009 387 HG3 GLU 47 3HG GLU 47 -17.640 23.773 -4.513 388 H ASP 48 H ASP 48 -19.250 19.501 -3.568 389 HA ASP 48 HA ASP 48 -16.684 19.806 -2.203 390 HB2 ASP 48 2HB ASP 48 -19.333 18.757 -1.487 391 HB3 ASP 48 3HB ASP 48 -17.992 17.777 -0.900 392 H ASP 49 H ASP 49 -17.756 18.203 -4.824 393 HA ASP 49 HA ASP 49 -15.950 15.922 -4.349 394 HB2 ASP 49 2HB ASP 49 -18.540 15.547 -4.675 395 HB3 ASP 49 3HB ASP 49 -18.141 15.757 -6.378 396 H ILE 50 H ILE 50 -16.416 18.738 -6.047 397 HA ILE 50 HA ILE 50 -15.007 17.817 -8.442 398 HB ILE 50 HB ILE 50 -16.986 19.249 -8.763 399 HG12 ILE 50 2HG1 ILE 50 -15.284 21.206 -9.831 400 HG13 ILE 50 3HG1 ILE 50 -14.328 19.728 -9.805 401 HG21 ILE 50 1HG2 ILE 50 -15.693 21.728 -7.942 402 HG22 ILE 50 2HG2 ILE 50 -17.341 21.164 -7.669 403 HG23 ILE 50 3HG2 ILE 50 -16.042 20.644 -6.596 404 HD11 ILE 50 3HD1 ILE 50 -17.059 19.425 -10.832 405 HD12 ILE 50 1HD1 ILE 50 -15.992 20.439 -11.803 406 HD13 ILE 50 2HD1 ILE 50 -15.534 18.776 -11.434 407 H ARG 51 H ARG 51 -14.614 19.860 -5.625 408 HA ARG 51 HA ARG 51 -12.122 20.991 -6.518 409 HB2 ARG 51 2HB ARG 51 -12.213 22.314 -4.653 410 HB3 ARG 51 3HB ARG 51 -13.916 21.899 -4.790 411 HG2 ARG 51 2HG ARG 51 -11.964 20.419 -3.044 412 HG3 ARG 51 3HG ARG 51 -12.993 21.740 -2.487 413 HD2 ARG 51 2HD ARG 51 -14.966 20.498 -2.906 414 HD3 ARG 51 3HD ARG 51 -14.084 19.274 -3.819 415 HE ARG 51 HE ARG 51 -13.640 18.218 -1.850 416 HH11 ARG 51 1HH1 ARG 51 -14.411 21.544 -1.171 417 HH12 ARG 51 2HH1 ARG 51 -14.364 21.340 0.549 418 HH21 ARG 51 1HH2 ARG 51 -13.575 17.937 0.413 419 HH22 ARG 51 2HH2 ARG 51 -13.888 19.288 1.448 420 H THR 52 H THR 52 -13.098 18.096 -5.012 421 HA THR 52 HA THR 52 -10.538 17.605 -3.729 422 HB THR 52 HB THR 52 -12.567 16.815 -2.610 423 HG1 THR 52 HG1 THR 52 -11.516 15.086 -1.945 424 HG21 THR 52 3HG2 THR 52 -13.520 16.201 -5.063 425 HG22 THR 52 1HG2 THR 52 -14.168 15.534 -3.566 426 HG23 THR 52 2HG2 THR 52 -13.007 14.606 -4.515 427 H LYS 53 H LYS 53 -12.283 16.685 -6.618 428 HA LYS 53 HA LYS 53 -10.126 14.844 -7.373 429 HB2 LYS 53 2HB LYS 53 -12.707 15.255 -8.871 430 HB3 LYS 53 3HB LYS 53 -11.611 13.882 -8.948 431 HG2 LYS 53 2HG LYS 53 -13.389 14.640 -6.641 432 HG3 LYS 53 3HG LYS 53 -13.590 13.268 -7.732 433 HD2 LYS 53 2HD LYS 53 -11.363 12.431 -6.939 434 HD3 LYS 53 3HD LYS 53 -11.385 13.710 -5.723 435 HE2 LYS 53 2HE LYS 53 -13.851 12.536 -5.424 436 HE3 LYS 53 3HE LYS 53 -12.811 11.164 -5.800 437 HZ1 LYS 53 3HZ LYS 53 -13.118 12.140 -3.350 438 HZ2 LYS 53 1HZ LYS 53 -11.777 13.045 -3.843 439 HZ3 LYS 53 2HZ LYS 53 -11.710 11.355 -3.862 440 H TYR 54 H TYR 54 -11.680 17.843 -8.256 441 HA TYR 54 HA TYR 54 -9.624 18.232 -10.327 442 HB2 TYR 54 2HB TYR 54 -12.383 19.422 -10.526 443 HB3 TYR 54 3HB TYR 54 -11.164 19.271 -11.786 444 HD1 TYR 54 HD2 TYR 54 -10.520 16.837 -12.463 445 HD2 TYR 54 HD1 TYR 54 -14.096 17.860 -10.396 446 HE1 TYR 54 HE2 TYR 54 -11.547 14.730 -13.208 447 HE2 TYR 54 HE1 TYR 54 -15.132 15.755 -11.134 448 HH TYR 54 HH TYR 54 -14.688 13.699 -12.030 449 H GLY 55 H GLY 55 -9.603 19.004 -7.526 450 HA2 GLY 55 2HA GLY 55 -10.311 21.635 -7.018 451 HA3 GLY 55 3HA GLY 55 -8.940 20.817 -6.283 452 H ASP 56 H ASP 56 -7.863 20.452 -9.126 453 HA ASP 56 HA ASP 56 -6.094 22.640 -9.098 454 HB2 ASP 56 2HB ASP 56 -5.290 20.693 -10.142 455 HB3 ASP 56 3HB ASP 56 -6.732 20.525 -11.139 456 H LEU 57 H LEU 57 -8.788 21.896 -11.309 457 HA LEU 57 HA LEU 57 -8.621 24.510 -12.526 458 HB2 LEU 57 2HB LEU 57 -10.875 23.576 -13.548 459 HB3 LEU 57 3HB LEU 57 -9.295 23.054 -14.127 460 HG LEU 57 HG LEU 57 -10.529 21.448 -11.964 461 HD11 LEU 57 1HD1 LEU 57 -11.479 20.392 -14.406 462 HD12 LEU 57 2HD1 LEU 57 -11.981 22.081 -14.330 463 HD13 LEU 57 3HD1 LEU 57 -12.412 20.974 -13.027 464 HD21 LEU 57 3HD2 LEU 57 -9.095 20.719 -14.516 465 HD22 LEU 57 1HD2 LEU 57 -9.497 19.633 -13.185 466 HD23 LEU 57 2HD2 LEU 57 -8.326 20.929 -12.942 467 H VAL 58 H VAL 58 -10.544 22.899 -10.100 468 HA VAL 58 HA VAL 58 -12.772 24.540 -9.969 469 HB VAL 58 HB VAL 58 -11.294 23.182 -7.713 470 HG11 VAL 58 1HG1 VAL 58 -12.569 24.475 -6.393 471 HG12 VAL 58 2HG1 VAL 58 -13.645 24.935 -7.714 472 HG13 VAL 58 3HG1 VAL 58 -13.876 23.397 -6.882 473 HG21 VAL 58 3HG2 VAL 58 -12.902 22.194 -9.829 474 HG22 VAL 58 1HG2 VAL 58 -12.205 21.307 -8.474 475 HG23 VAL 58 2HG2 VAL 58 -13.813 22.015 -8.329 476 H ASP 59 H ASP 59 -9.571 24.999 -8.540 477 HA ASP 59 HA ASP 59 -10.320 27.457 -7.237 478 HB2 ASP 59 2HB ASP 59 -8.041 25.665 -7.234 479 HB3 ASP 59 3HB ASP 59 -7.528 27.346 -7.352 480 H ASP 60 H ASP 60 -9.954 26.761 -10.372 481 HA ASP 60 HA ASP 60 -8.664 29.329 -11.020 482 HB2 ASP 60 2HB ASP 60 -8.406 26.678 -12.148 483 HB3 ASP 60 3HB ASP 60 -8.908 27.832 -13.380 484 H PHE 61 H PHE 61 -11.594 27.596 -11.053 485 HA PHE 61 HA PHE 61 -12.779 29.383 -13.054 486 HB2 PHE 61 2HB PHE 61 -13.254 27.057 -13.455 487 HB3 PHE 61 3HB PHE 61 -13.789 26.829 -11.794 488 HD1 PHE 61 HD1 PHE 61 -14.628 28.389 -15.024 489 HD2 PHE 61 HD2 PHE 61 -15.999 27.356 -11.129 490 HE1 PHE 61 HE1 PHE 61 -16.937 28.903 -15.704 491 HE2 PHE 61 HE2 PHE 61 -18.310 27.868 -11.802 492 HZ PHE 61 HZ PHE 61 -18.781 28.641 -14.093 493 H GLU 62 H GLU 62 -13.828 27.959 -9.954 494 HA GLU 62 HA GLU 62 -15.779 29.881 -9.400 495 HB2 GLU 62 2HB GLU 62 -15.949 28.921 -7.267 496 HB3 GLU 62 3HB GLU 62 -15.395 27.602 -8.289 497 HG2 GLU 62 2HG GLU 62 -13.027 28.406 -7.506 498 HG3 GLU 62 3HG GLU 62 -13.943 29.101 -6.170 499 H LYS 63 H LYS 63 -12.336 29.837 -8.752 500 HA LYS 63 HA LYS 63 -12.327 32.072 -6.982 501 HB2 LYS 63 2HB LYS 63 -10.109 30.850 -8.634 502 HB3 LYS 63 3HB LYS 63 -9.875 32.079 -7.398 503 HG2 LYS 63 2HG LYS 63 -10.985 29.317 -6.942 504 HG3 LYS 63 3HG LYS 63 -9.347 29.853 -6.563 505 HD2 LYS 63 2HD LYS 63 -10.928 31.731 -5.313 506 HD3 LYS 63 3HD LYS 63 -11.830 30.231 -5.084 507 HE2 LYS 63 2HE LYS 63 -8.903 30.171 -4.593 508 HE3 LYS 63 3HE LYS 63 -9.910 31.012 -3.415 509 HZ1 LYS 63 3HZ LYS 63 -10.647 28.303 -4.299 510 HZ2 LYS 63 1HZ LYS 63 -11.004 29.087 -2.843 511 HZ3 LYS 63 2HZ LYS 63 -9.442 28.503 -3.128 512 H ASN 64 H ASN 64 -12.903 31.833 -10.259 513 HA ASN 64 HA ASN 64 -11.847 34.512 -10.831 514 HB2 ASN 64 2HB ASN 64 -12.705 32.222 -12.585 515 HB3 ASN 64 3HB ASN 64 -12.554 33.854 -13.230 516 HD21 ASN 64 1HD2 ASN 64 -10.599 32.163 -10.819 517 HD22 ASN 64 2HD2 ASN 64 -9.115 32.262 -11.698 518 H GLN 65 H GLN 65 -14.801 32.628 -10.684 519 HA GLN 65 HA GLN 65 -16.394 34.930 -11.517 520 HB2 GLN 65 2HB GLN 65 -17.674 32.382 -10.674 521 HB3 GLN 65 3HB GLN 65 -18.103 33.476 -11.982 522 HG2 GLN 65 2HG GLN 65 -15.801 32.606 -12.961 523 HG3 GLN 65 3HG GLN 65 -16.186 31.220 -11.942 524 HE21 GLN 65 1HE2 GLN 65 -16.211 31.942 -14.958 525 HE22 GLN 65 2HE2 GLN 65 -17.702 31.259 -15.501 526 H LYS 66 H LYS 66 -15.124 33.688 -8.710 527 HA LYS 66 HA LYS 66 -17.137 33.818 -6.820 528 HB2 LYS 66 2HB LYS 66 -15.300 34.475 -5.216 529 HB3 LYS 66 3HB LYS 66 -14.999 33.019 -6.155 530 HG2 LYS 66 2HG LYS 66 -13.575 34.289 -7.678 531 HG3 LYS 66 3HG LYS 66 -13.880 35.753 -6.741 532 HD2 LYS 66 2HD LYS 66 -12.986 33.591 -5.044 533 HD3 LYS 66 3HD LYS 66 -11.835 33.900 -6.346 534 HE2 LYS 66 2HE LYS 66 -11.129 35.338 -4.665 535 HE3 LYS 66 3HE LYS 66 -12.107 36.380 -5.697 536 HZ1 LYS 66 3HZ LYS 66 -13.344 35.016 -3.401 537 HZ2 LYS 66 1HZ LYS 66 -13.805 36.453 -4.166 538 HZ3 LYS 66 2HZ LYS 66 -12.450 36.430 -3.154 539 H LYS 67 H LYS 67 -15.483 36.403 -8.472 540 HA LYS 67 HA LYS 67 -17.263 38.324 -7.141 541 HB2 LYS 67 2HB LYS 67 -14.420 38.218 -6.899 542 HB3 LYS 67 3HB LYS 67 -14.841 39.659 -7.816 543 HG2 LYS 67 2HG LYS 67 -16.332 39.075 -5.308 544 HG3 LYS 67 3HG LYS 67 -14.689 39.709 -5.200 545 HD2 LYS 67 2HD LYS 67 -16.082 41.224 -7.155 546 HD3 LYS 67 3HD LYS 67 -17.109 41.113 -5.723 547 HE2 LYS 67 2HE LYS 67 -14.202 41.869 -5.573 548 HE3 LYS 67 3HE LYS 67 -15.476 43.062 -5.827 549 HZ1 LYS 67 3HZ LYS 67 -16.220 42.854 -3.717 550 HZ2 LYS 67 1HZ LYS 67 -14.619 42.388 -3.429 551 HZ3 LYS 67 2HZ LYS 67 -15.824 41.213 -3.600 Start of MODEL 18 1 H1 MET 1 H MET 1 8.417 -7.954 -16.315 2 HA MET 1 HA MET 1 9.554 -5.308 -16.899 3 HB2 MET 1 2HB MET 1 10.221 -6.226 -19.158 4 HB3 MET 1 3HB MET 1 11.173 -6.798 -17.795 5 HG2 MET 1 2HG MET 1 10.591 -8.916 -18.138 6 HG3 MET 1 3HG MET 1 8.893 -8.504 -18.366 7 HE1 MET 1 3HE MET 1 11.089 -10.657 -20.849 8 HE2 MET 1 1HE MET 1 9.956 -10.731 -19.498 9 HE3 MET 1 2HE MET 1 9.352 -10.693 -21.155 10 H HIS 2 H HIS 2 6.819 -6.235 -16.353 11 HA HIS 2 HA HIS 2 5.590 -5.257 -18.832 12 HB2 HIS 2 2HB HIS 2 5.449 -7.855 -18.373 13 HB3 HIS 2 3HB HIS 2 4.164 -7.370 -17.271 14 HD1 HIS 2 HD1 HIS 2 4.665 -8.371 -20.651 15 HD2 HIS 2 HD2 HIS 2 2.176 -5.642 -18.749 16 HE1 HIS 2 HE1 HIS 2 2.793 -7.928 -22.270 17 H HIS 3 H HIS 3 5.394 -3.238 -17.787 18 HA HIS 3 HA HIS 3 3.007 -2.998 -16.193 19 HB2 HIS 3 2HB HIS 3 4.056 -1.809 -14.327 20 HB3 HIS 3 3HB HIS 3 4.680 -3.451 -14.452 21 HD1 HIS 3 HD1 HIS 3 7.108 -3.642 -15.632 22 HD2 HIS 3 HD2 HIS 3 5.964 0.133 -14.326 23 HE1 HIS 3 HE1 HIS 3 9.229 -2.294 -15.530 24 H HIS 4 H HIS 4 2.319 -0.771 -15.938 25 HA HIS 4 HA HIS 4 3.654 1.091 -17.786 26 HB2 HIS 4 2HB HIS 4 0.777 0.276 -17.669 27 HB3 HIS 4 3HB HIS 4 1.183 1.915 -18.168 28 HD1 HIS 4 HD1 HIS 4 0.034 -0.651 -19.883 29 HD2 HIS 4 HD2 HIS 4 3.782 1.133 -20.065 30 HE1 HIS 4 HE1 HIS 4 0.940 -1.219 -22.160 31 H HIS 5 H HIS 5 3.778 3.197 -17.147 32 HA HIS 5 HA HIS 5 2.188 4.375 -15.134 33 HB2 HIS 5 2HB HIS 5 4.109 2.692 -14.071 34 HB3 HIS 5 3HB HIS 5 4.870 4.278 -13.980 35 HD1 HIS 5 HD1 HIS 5 1.770 2.459 -12.810 36 HD2 HIS 5 HD2 HIS 5 3.952 5.892 -11.965 37 HE1 HIS 5 HE1 HIS 5 0.763 3.394 -10.703 38 H HIS 6 H HIS 6 2.603 6.579 -14.888 39 HA HIS 6 HA HIS 6 4.943 7.880 -15.764 40 HB2 HIS 6 2HB HIS 6 4.159 8.905 -17.830 41 HB3 HIS 6 3HB HIS 6 4.145 7.151 -17.986 42 HD1 HIS 6 HD1 HIS 6 1.703 6.020 -17.695 43 HD2 HIS 6 HD2 HIS 6 1.786 10.114 -18.398 44 HE1 HIS 6 HE1 HIS 6 -0.619 6.620 -18.450 45 H HIS 7 H HIS 7 4.966 9.971 -15.091 46 HA HIS 7 HA HIS 7 4.318 11.860 -14.002 47 HB2 HIS 7 2HB HIS 7 2.144 11.257 -15.856 48 HB3 HIS 7 3HB HIS 7 1.606 12.178 -14.455 49 HD1 HIS 7 HD1 HIS 7 2.227 12.986 -17.647 50 HD2 HIS 7 HD2 HIS 7 4.105 14.241 -14.160 51 HE1 HIS 7 HE1 HIS 7 3.311 15.181 -18.220 52 H GLU 8 H GLU 8 2.480 12.716 -12.436 53 HA GLU 8 HA GLU 8 1.734 10.482 -10.664 54 HB2 GLU 8 2HB GLU 8 2.452 13.244 -9.699 55 HB3 GLU 8 3HB GLU 8 2.282 11.774 -8.750 56 HG2 GLU 8 2HG GLU 8 4.456 12.384 -10.737 57 HG3 GLU 8 3HG GLU 8 4.609 12.350 -8.982 58 H VAL 9 H VAL 9 -0.351 10.443 -11.628 59 HA VAL 9 HA VAL 9 -2.134 12.478 -10.523 60 HB VAL 9 HB VAL 9 -2.361 11.601 -13.402 61 HG11 VAL 9 1HG1 VAL 9 -3.817 13.678 -11.772 62 HG12 VAL 9 2HG1 VAL 9 -3.975 13.483 -13.519 63 HG13 VAL 9 3HG1 VAL 9 -4.485 12.187 -12.436 64 HG21 VAL 9 3HG2 VAL 9 -0.458 12.944 -13.433 65 HG22 VAL 9 1HG2 VAL 9 -1.761 14.075 -13.798 66 HG23 VAL 9 2HG2 VAL 9 -1.074 14.014 -12.174 67 HA PRO 10 HA PRO 10 -3.596 8.067 -10.049 68 HB2 PRO 10 2HB PRO 10 -3.966 8.210 -7.364 69 HB3 PRO 10 3HB PRO 10 -2.421 7.763 -8.098 70 HG2 PRO 10 2HG PRO 10 -3.303 10.405 -7.002 71 HG3 PRO 10 3HG PRO 10 -1.747 9.577 -6.809 72 HD2 PRO 10 2HD PRO 10 -2.114 11.594 -8.578 73 HD3 PRO 10 3HD PRO 10 -0.987 10.255 -8.876 74 H GLN 11 H GLN 11 -5.376 9.179 -11.271 75 HA GLN 11 HA GLN 11 -7.807 8.952 -9.917 76 HB2 GLN 11 2HB GLN 11 -8.513 11.381 -10.034 77 HB3 GLN 11 3HB GLN 11 -7.370 10.974 -8.761 78 HG2 GLN 11 2HG GLN 11 -5.823 11.693 -10.982 79 HG3 GLN 11 3HG GLN 11 -7.127 12.876 -10.888 80 HE21 GLN 11 1HE2 GLN 11 -4.336 11.549 -9.313 81 HE22 GLN 11 2HE2 GLN 11 -4.169 12.784 -8.116 82 H THR 12 H THR 12 -6.105 10.599 -12.539 83 HA THR 12 HA THR 12 -7.498 9.306 -14.585 84 HB THR 12 HB THR 12 -8.534 11.789 -15.240 85 HG1 THR 12 HG1 THR 12 -9.925 11.954 -13.173 86 HG21 THR 12 3HG2 THR 12 -10.454 10.618 -15.486 87 HG22 THR 12 1HG2 THR 12 -10.372 9.939 -13.861 88 HG23 THR 12 2HG2 THR 12 -9.411 9.234 -15.161 89 H PHE 13 H PHE 13 -6.859 12.788 -14.472 90 HA PHE 13 HA PHE 13 -4.230 12.734 -15.427 91 HB2 PHE 13 2HB PHE 13 -4.909 13.590 -17.817 92 HB3 PHE 13 3HB PHE 13 -4.788 11.863 -17.495 93 HD1 PHE 13 HD1 PHE 13 -7.470 14.330 -16.725 94 HD2 PHE 13 HD2 PHE 13 -6.345 10.795 -18.810 95 HE1 PHE 13 HE1 PHE 13 -9.797 14.033 -17.469 96 HE2 PHE 13 HE2 PHE 13 -8.669 10.493 -19.559 97 HZ PHE 13 HZ PHE 13 -10.398 12.113 -18.889 98 H GLU 14 H GLU 14 -6.012 14.202 -13.656 99 HA GLU 14 HA GLU 14 -6.293 16.332 -12.907 100 HB2 GLU 14 2HB GLU 14 -4.477 17.250 -15.129 101 HB3 GLU 14 3HB GLU 14 -4.750 18.010 -13.567 102 HG2 GLU 14 2HG GLU 14 -3.410 15.345 -13.967 103 HG3 GLU 14 3HG GLU 14 -2.567 16.877 -13.746 104 H VAL 15 H VAL 15 -8.244 17.166 -13.208 105 HA VAL 15 HA VAL 15 -9.653 17.256 -15.603 106 HB VAL 15 HB VAL 15 -10.066 19.136 -13.277 107 HG11 VAL 15 1HG1 VAL 15 -11.647 19.916 -14.661 108 HG12 VAL 15 2HG1 VAL 15 -11.552 18.507 -15.719 109 HG13 VAL 15 3HG1 VAL 15 -12.522 18.442 -14.246 110 HG21 VAL 15 3HG2 VAL 15 -9.973 16.939 -12.359 111 HG22 VAL 15 1HG2 VAL 15 -11.675 17.381 -12.482 112 HG23 VAL 15 2HG2 VAL 15 -10.961 16.285 -13.664 113 H GLU 16 H GLU 16 -10.212 18.961 -17.007 114 HA GLU 16 HA GLU 16 -8.051 20.707 -17.647 115 HB2 GLU 16 2HB GLU 16 -10.493 19.815 -18.887 116 HB3 GLU 16 3HB GLU 16 -10.349 21.561 -19.035 117 HG2 GLU 16 2HG GLU 16 -7.921 20.017 -19.656 118 HG3 GLU 16 3HG GLU 16 -9.275 19.813 -20.766 119 H ARG 17 H ARG 17 -11.459 21.503 -16.944 120 HA ARG 17 HA ARG 17 -10.870 23.428 -14.971 121 HB2 ARG 17 2HB ARG 17 -10.902 25.449 -16.063 122 HB3 ARG 17 3HB ARG 17 -10.082 24.461 -17.264 123 HG2 ARG 17 2HG ARG 17 -12.999 25.209 -17.252 124 HG3 ARG 17 3HG ARG 17 -11.748 25.851 -18.319 125 HD2 ARG 17 2HD ARG 17 -11.472 23.182 -18.728 126 HD3 ARG 17 3HD ARG 17 -13.205 23.301 -18.424 127 HE ARG 17 HE ARG 17 -13.456 24.409 -20.422 128 HH11 ARG 17 1HH1 ARG 17 -10.077 24.213 -19.606 129 HH12 ARG 17 2HH1 ARG 17 -9.537 24.779 -21.152 130 HH21 ARG 17 1HH2 ARG 17 -12.757 25.156 -22.461 131 HH22 ARG 17 2HH2 ARG 17 -11.062 25.316 -22.775 132 H ILE 18 H ILE 18 -12.819 24.780 -14.442 133 HA ILE 18 HA ILE 18 -15.127 23.117 -14.394 134 HB ILE 18 HB ILE 18 -14.937 26.033 -13.635 135 HG12 ILE 18 2HG1 ILE 18 -13.316 24.325 -12.530 136 HG13 ILE 18 3HG1 ILE 18 -14.232 25.418 -11.498 137 HG21 ILE 18 1HG2 ILE 18 -16.918 23.869 -12.959 138 HG22 ILE 18 2HG2 ILE 18 -16.828 25.413 -12.114 139 HG23 ILE 18 3HG2 ILE 18 -17.217 25.370 -13.834 140 HD11 ILE 18 3HD1 ILE 18 -15.190 22.650 -12.134 141 HD12 ILE 18 1HD1 ILE 18 -14.097 22.989 -10.792 142 HD13 ILE 18 2HD1 ILE 18 -15.701 23.722 -10.830 143 H VAL 19 H VAL 19 -16.448 22.834 -16.058 144 HA VAL 19 HA VAL 19 -16.562 24.459 -18.340 145 HB VAL 19 HB VAL 19 -18.787 22.651 -17.405 146 HG11 VAL 19 1HG1 VAL 19 -18.637 24.278 -19.594 147 HG12 VAL 19 2HG1 VAL 19 -18.056 22.740 -20.235 148 HG13 VAL 19 3HG1 VAL 19 -19.641 22.834 -19.467 149 HG21 VAL 19 3HG2 VAL 19 -17.266 21.164 -19.139 150 HG22 VAL 19 1HG2 VAL 19 -16.049 22.006 -18.180 151 HG23 VAL 19 2HG2 VAL 19 -17.265 21.009 -17.382 152 H ARG 20 H ARG 20 -19.038 24.070 -15.796 153 HA ARG 20 HA ARG 20 -19.620 26.892 -15.839 154 HB2 ARG 20 2HB ARG 20 -21.979 26.651 -16.455 155 HB3 ARG 20 3HB ARG 20 -20.924 26.140 -17.765 156 HG2 ARG 20 2HG ARG 20 -21.722 23.982 -15.957 157 HG3 ARG 20 3HG ARG 20 -23.055 24.736 -16.833 158 HD2 ARG 20 2HD ARG 20 -20.759 24.254 -18.538 159 HD3 ARG 20 3HD ARG 20 -21.346 22.772 -17.784 160 HE ARG 20 HE ARG 20 -23.364 24.446 -19.021 161 HH11 ARG 20 1HH1 ARG 20 -21.201 21.737 -19.344 162 HH12 ARG 20 2HH1 ARG 20 -22.084 21.021 -20.652 163 HH21 ARG 20 1HH2 ARG 20 -24.534 23.513 -20.743 164 HH22 ARG 20 2HH2 ARG 20 -23.979 22.033 -21.448 165 H LYS 21 H LYS 21 -21.997 26.989 -14.563 166 HA LYS 21 HA LYS 21 -22.066 25.100 -12.377 167 HB2 LYS 21 2HB LYS 21 -21.603 26.639 -10.612 168 HB3 LYS 21 3HB LYS 21 -20.273 26.748 -11.757 169 HG2 LYS 21 2HG LYS 21 -20.991 28.827 -12.565 170 HG3 LYS 21 3HG LYS 21 -22.589 28.652 -11.838 171 HD2 LYS 21 2HD LYS 21 -20.964 28.462 -9.656 172 HD3 LYS 21 3HD LYS 21 -20.074 29.604 -10.667 173 HE2 LYS 21 2HE LYS 21 -22.417 30.731 -10.938 174 HE3 LYS 21 3HE LYS 21 -22.793 29.852 -9.457 175 HZ1 LYS 21 3HZ LYS 21 -21.111 30.982 -8.293 176 HZ2 LYS 21 1HZ LYS 21 -21.919 32.178 -9.176 177 HZ3 LYS 21 2HZ LYS 21 -20.419 31.603 -9.706 178 H LYS 22 H LYS 22 -23.913 25.402 -10.983 179 HA LYS 22 HA LYS 22 -25.836 27.432 -11.407 180 HB2 LYS 22 2HB LYS 22 -27.520 26.302 -12.636 181 HB3 LYS 22 3HB LYS 22 -26.031 26.094 -13.549 182 HG2 LYS 22 2HG LYS 22 -26.480 23.924 -13.585 183 HG3 LYS 22 3HG LYS 22 -26.108 23.896 -11.860 184 HD2 LYS 22 2HD LYS 22 -28.204 23.192 -11.553 185 HD3 LYS 22 3HD LYS 22 -28.709 24.835 -11.958 186 HE2 LYS 22 2HE LYS 22 -28.560 23.986 -14.412 187 HE3 LYS 22 3HE LYS 22 -28.655 22.386 -13.677 188 HZ1 LYS 22 3HZ LYS 22 -30.619 24.308 -12.750 189 HZ2 LYS 22 1HZ LYS 22 -30.802 22.671 -13.133 190 HZ3 LYS 22 2HZ LYS 22 -30.784 23.830 -14.364 191 H ILE 23 H ILE 23 -27.493 27.351 -9.905 192 HA ILE 23 HA ILE 23 -27.275 25.173 -7.935 193 HB ILE 23 HB ILE 23 -27.822 26.643 -6.220 194 HG12 ILE 23 2HG1 ILE 23 -28.516 29.115 -7.057 195 HG13 ILE 23 3HG1 ILE 23 -29.177 28.158 -8.378 196 HG21 ILE 23 1HG2 ILE 23 -25.636 27.139 -7.610 197 HG22 ILE 23 2HG2 ILE 23 -26.446 28.679 -7.893 198 HG23 ILE 23 3HG2 ILE 23 -26.106 28.152 -6.245 199 HD11 ILE 23 3HD1 ILE 23 -30.928 27.618 -7.148 200 HD12 ILE 23 1HD1 ILE 23 -29.885 26.948 -5.894 201 HD13 ILE 23 2HD1 ILE 23 -30.312 28.659 -5.864 202 H VAL 24 H VAL 24 -29.167 24.314 -7.006 203 HA VAL 24 HA VAL 24 -31.700 25.001 -8.322 204 HB VAL 24 HB VAL 24 -31.315 22.126 -7.783 205 HG11 VAL 24 1HG1 VAL 24 -32.232 23.132 -10.398 206 HG12 VAL 24 2HG1 VAL 24 -32.922 21.891 -9.351 207 HG13 VAL 24 3HG1 VAL 24 -33.210 23.597 -9.006 208 HG21 VAL 24 3HG2 VAL 24 -29.847 23.515 -10.022 209 HG22 VAL 24 1HG2 VAL 24 -29.139 22.581 -8.704 210 HG23 VAL 24 2HG2 VAL 24 -30.117 21.774 -9.930 211 H HIS 25 H HIS 25 -33.231 25.373 -6.869 212 HA HIS 25 HA HIS 25 -34.375 25.457 -4.903 213 HB2 HIS 25 2HB HIS 25 -34.244 22.849 -5.595 214 HB3 HIS 25 3HB HIS 25 -33.448 22.784 -4.025 215 HD1 HIS 25 HD1 HIS 25 -36.560 22.068 -5.234 216 HD2 HIS 25 HD2 HIS 25 -35.307 24.637 -2.218 217 HE1 HIS 25 HE1 HIS 25 -38.566 22.397 -3.754 218 H GLY 26 H GLY 26 -31.481 26.195 -4.979 219 HA2 GLY 26 2HA GLY 26 -30.309 27.321 -3.263 220 HA3 GLY 26 3HA GLY 26 -31.126 26.313 -2.077 221 H ASN 27 H ASN 27 -30.007 24.461 -4.642 222 HA ASN 27 HA ASN 27 -27.650 23.658 -3.071 223 HB2 ASN 27 2HB ASN 27 -29.205 22.020 -5.085 224 HB3 ASN 27 3HB ASN 27 -27.878 21.450 -4.077 225 HD21 ASN 27 1HD2 ASN 27 -30.428 20.291 -4.155 226 HD22 ASN 27 2HD2 ASN 27 -31.160 20.488 -2.603 227 H THR 28 H THR 28 -25.914 24.649 -3.895 228 HA THR 28 HA THR 28 -25.638 25.413 -6.611 229 HB THR 28 HB THR 28 -23.264 25.039 -4.819 230 HG1 THR 28 HG1 THR 28 -23.927 26.568 -3.493 231 HG21 THR 28 3HG2 THR 28 -23.219 25.929 -7.236 232 HG22 THR 28 1HG2 THR 28 -22.355 26.842 -6.000 233 HG23 THR 28 2HG2 THR 28 -23.934 27.392 -6.559 234 H SER 29 H SER 29 -24.455 24.519 -8.273 235 HA SER 29 HA SER 29 -23.179 21.924 -7.831 236 HB2 SER 29 2HB SER 29 -25.287 22.417 -9.948 237 HB3 SER 29 3HB SER 29 -24.330 20.945 -9.781 238 HG SER 29 HG SER 29 -26.576 21.191 -8.744 239 H TYR 30 H TYR 30 -21.270 21.831 -8.809 240 HA TYR 30 HA TYR 30 -20.663 23.830 -10.872 241 HB2 TYR 30 2HB TYR 30 -19.002 22.373 -8.850 242 HB3 TYR 30 3HB TYR 30 -18.240 22.992 -10.311 243 HD1 TYR 30 HD1 TYR 30 -20.877 24.390 -8.059 244 HD2 TYR 30 HD2 TYR 30 -17.020 24.880 -9.787 245 HE1 TYR 30 HE1 TYR 30 -20.700 26.612 -7.019 246 HE2 TYR 30 HE2 TYR 30 -16.832 27.103 -8.751 247 HH TYR 30 HH TYR 30 -18.539 28.137 -6.294 248 H LEU 31 H LEU 31 -20.501 23.205 -12.913 249 HA LEU 31 HA LEU 31 -20.345 20.355 -13.526 250 HB2 LEU 31 2HB LEU 31 -22.018 22.060 -14.536 251 HB3 LEU 31 3HB LEU 31 -20.662 22.526 -15.561 252 HG LEU 31 HG LEU 31 -20.653 20.485 -16.685 253 HD11 LEU 31 1HD1 LEU 31 -20.657 18.751 -15.229 254 HD12 LEU 31 2HD1 LEU 31 -22.350 18.668 -15.716 255 HD13 LEU 31 3HD1 LEU 31 -21.905 19.465 -14.207 256 HD21 LEU 31 3HD2 LEU 31 -22.979 21.966 -16.572 257 HD22 LEU 31 1HD2 LEU 31 -23.534 20.304 -16.368 258 HD23 LEU 31 2HD2 LEU 31 -22.576 20.746 -17.782 259 H VAL 32 H VAL 32 -18.378 19.527 -13.753 260 HA VAL 32 HA VAL 32 -16.341 21.127 -15.163 261 HB VAL 32 HB VAL 32 -15.913 20.698 -12.691 262 HG11 VAL 32 1HG1 VAL 32 -15.080 18.516 -12.057 263 HG12 VAL 32 2HG1 VAL 32 -16.724 18.370 -12.681 264 HG13 VAL 32 3HG1 VAL 32 -15.353 17.908 -13.690 265 HG21 VAL 32 3HG2 VAL 32 -14.098 21.430 -13.998 266 HG22 VAL 32 1HG2 VAL 32 -13.508 20.001 -13.149 267 HG23 VAL 32 2HG2 VAL 32 -13.979 19.888 -14.845 268 H LYS 33 H LYS 33 -15.034 20.081 -16.655 269 HA LYS 33 HA LYS 33 -16.121 17.566 -17.670 270 HB2 LYS 33 2HB LYS 33 -14.795 18.061 -19.690 271 HB3 LYS 33 3HB LYS 33 -15.888 19.375 -19.277 272 HG2 LYS 33 2HG LYS 33 -13.973 20.539 -18.193 273 HG3 LYS 33 3HG LYS 33 -12.917 19.268 -18.813 274 HD2 LYS 33 2HD LYS 33 -12.728 20.931 -20.424 275 HD3 LYS 33 3HD LYS 33 -13.949 19.858 -21.111 276 HE2 LYS 33 2HE LYS 33 -15.715 21.320 -20.389 277 HE3 LYS 33 3HE LYS 33 -14.574 22.333 -19.506 278 HZ1 LYS 33 3HZ LYS 33 -13.528 22.908 -21.620 279 HZ2 LYS 33 1HZ LYS 33 -15.164 23.341 -21.606 280 HZ3 LYS 33 2HZ LYS 33 -14.661 21.966 -22.452 281 H TRP 34 H TRP 34 -13.905 16.619 -19.054 282 HA TRP 34 HA TRP 34 -11.937 16.040 -16.949 283 HB2 TRP 34 2HB TRP 34 -12.718 13.829 -18.788 284 HB3 TRP 34 3HB TRP 34 -12.148 13.759 -17.123 285 HD1 TRP 34 HD1 TRP 34 -14.177 15.078 -15.399 286 HE1 TRP 34 HE1 TRP 34 -16.658 14.396 -15.319 287 HE3 TRP 34 HE3 TRP 34 -14.520 12.726 -19.926 288 HZ2 TRP 34 HZ2 TRP 34 -18.514 13.041 -16.957 289 HZ3 TRP 34 HZ3 TRP 34 -16.684 11.764 -20.594 290 HH2 TRP 34 HH2 TRP 34 -18.638 11.918 -19.138 291 H LYS 35 H LYS 35 -10.432 17.381 -17.951 292 HA LYS 35 HA LYS 35 -8.784 17.980 -19.403 293 HB2 LYS 35 2HB LYS 35 -8.149 15.593 -18.789 294 HB3 LYS 35 3HB LYS 35 -8.846 15.110 -20.330 295 HG2 LYS 35 2HG LYS 35 -7.201 17.057 -21.169 296 HG3 LYS 35 3HG LYS 35 -6.318 16.506 -19.743 297 HD2 LYS 35 2HD LYS 35 -5.729 14.575 -20.719 298 HD3 LYS 35 3HD LYS 35 -7.338 14.327 -21.401 299 HE2 LYS 35 2HE LYS 35 -5.829 16.513 -22.635 300 HE3 LYS 35 3HE LYS 35 -5.092 14.924 -22.835 301 HZ1 LYS 35 3HZ LYS 35 -7.898 15.603 -23.532 302 HZ2 LYS 35 1HZ LYS 35 -7.145 14.107 -23.774 303 HZ3 LYS 35 2HZ LYS 35 -6.626 15.466 -24.638 304 H ASN 36 H ASN 36 -11.505 18.262 -20.317 305 HA ASN 36 HA ASN 36 -12.627 18.881 -22.197 306 HB2 ASN 36 2HB ASN 36 -9.824 19.225 -22.849 307 HB3 ASN 36 3HB ASN 36 -10.757 18.791 -24.278 308 HD21 ASN 36 1HD2 ASN 36 -10.848 20.966 -21.484 309 HD22 ASN 36 2HD2 ASN 36 -11.542 22.303 -22.330 310 H TYR 37 H TYR 37 -11.852 15.967 -21.528 311 HA TYR 37 HA TYR 37 -11.811 14.535 -23.968 312 HB2 TYR 37 2HB TYR 37 -11.058 13.459 -21.951 313 HB3 TYR 37 3HB TYR 37 -12.619 13.706 -21.176 314 HD1 TYR 37 HD1 TYR 37 -14.579 12.378 -21.891 315 HD2 TYR 37 HD2 TYR 37 -10.690 11.628 -23.445 316 HE1 TYR 37 HE1 TYR 37 -15.331 10.179 -22.695 317 HE2 TYR 37 HE2 TYR 37 -11.432 9.427 -24.254 318 HH TYR 37 HH TYR 37 -13.628 8.348 -24.905 319 H SER 38 H SER 38 -14.330 16.051 -22.181 320 HA SER 38 HA SER 38 -16.241 15.577 -24.235 321 HB2 SER 38 2HB SER 38 -16.399 13.958 -21.714 322 HB3 SER 38 3HB SER 38 -17.881 14.454 -22.531 323 HG SER 38 HG SER 38 -17.444 13.149 -24.158 324 H SER 39 H SER 39 -15.798 17.940 -23.812 325 HA SER 39 HA SER 39 -16.539 19.336 -21.562 326 HB2 SER 39 2HB SER 39 -16.471 21.239 -22.866 327 HB3 SER 39 3HB SER 39 -15.603 20.117 -23.913 328 HG SER 39 HG SER 39 -17.381 21.407 -24.872 329 H LYS 40 H LYS 40 -18.568 17.808 -23.938 330 HA LYS 40 HA LYS 40 -20.986 19.134 -23.143 331 HB2 LYS 40 2HB LYS 40 -20.526 16.634 -24.779 332 HB3 LYS 40 3HB LYS 40 -22.092 17.400 -24.550 333 HG2 LYS 40 2HG LYS 40 -21.416 18.200 -26.609 334 HG3 LYS 40 3HG LYS 40 -20.952 19.504 -25.512 335 HD2 LYS 40 2HD LYS 40 -18.774 19.243 -25.960 336 HD3 LYS 40 3HD LYS 40 -18.873 17.485 -25.830 337 HE2 LYS 40 2HE LYS 40 -20.170 17.849 -28.155 338 HE3 LYS 40 3HE LYS 40 -19.083 19.236 -28.202 339 HZ1 LYS 40 3HZ LYS 40 -18.497 16.552 -28.751 340 HZ2 LYS 40 1HZ LYS 40 -17.606 17.011 -27.388 341 HZ3 LYS 40 2HZ LYS 40 -17.463 17.888 -28.826 342 H ASP 41 H ASP 41 -19.823 15.779 -22.790 343 HA ASP 41 HA ASP 41 -21.868 14.909 -21.092 344 HB2 ASP 41 2HB ASP 41 -20.123 13.505 -22.323 345 HB3 ASP 41 3HB ASP 41 -19.037 13.876 -20.987 346 H ASN 42 H ASN 42 -18.517 15.709 -20.152 347 HA ASN 42 HA ASN 42 -17.648 16.227 -18.092 348 HB2 ASN 42 2HB ASN 42 -18.517 18.319 -17.190 349 HB3 ASN 42 3HB ASN 42 -18.459 18.401 -18.949 350 HD21 ASN 42 1HD2 ASN 42 -20.072 19.691 -19.505 351 HD22 ASN 42 2HD2 ASN 42 -21.717 19.515 -19.006 352 H THR 43 H THR 43 -18.779 17.153 -15.744 353 HA THR 43 HA THR 43 -20.830 15.260 -14.929 354 HB THR 43 HB THR 43 -19.267 14.729 -12.872 355 HG1 THR 43 HG1 THR 43 -17.365 15.623 -13.253 356 HG21 THR 43 3HG2 THR 43 -18.250 13.034 -14.929 357 HG22 THR 43 1HG2 THR 43 -19.939 13.398 -15.282 358 HG23 THR 43 2HG2 THR 43 -19.496 12.687 -13.730 359 H TRP 44 H TRP 44 -21.980 15.911 -13.143 360 HA TRP 44 HA TRP 44 -21.543 18.662 -12.310 361 HB2 TRP 44 2HB TRP 44 -23.797 16.861 -11.434 362 HB3 TRP 44 3HB TRP 44 -23.761 18.621 -11.467 363 HD1 TRP 44 HD1 TRP 44 -24.314 19.820 -13.758 364 HE1 TRP 44 HE1 TRP 44 -25.302 18.978 -15.980 365 HE3 TRP 44 HE3 TRP 44 -23.822 14.786 -13.010 366 HZ2 TRP 44 HZ2 TRP 44 -25.807 16.507 -17.248 367 HZ3 TRP 44 HZ3 TRP 44 -24.582 13.252 -14.777 368 HH2 TRP 44 HH2 TRP 44 -25.554 14.096 -16.851 369 H GLU 45 H GLU 45 -20.791 19.283 -10.376 370 HA GLU 45 HA GLU 45 -20.689 17.335 -8.190 371 HB2 GLU 45 2HB GLU 45 -18.350 18.835 -9.348 372 HB3 GLU 45 3HB GLU 45 -18.335 18.233 -7.697 373 HG2 GLU 45 2HG GLU 45 -19.153 16.176 -9.544 374 HG3 GLU 45 3HG GLU 45 -17.593 16.861 -9.993 375 H THR 46 H THR 46 -21.511 18.194 -6.411 376 HA THR 46 HA THR 46 -22.549 20.684 -6.094 377 HB THR 46 HB THR 46 -21.766 20.213 -3.526 378 HG1 THR 46 HG1 THR 46 -22.152 17.606 -4.504 379 HG21 THR 46 3HG2 THR 46 -23.907 18.872 -3.363 380 HG22 THR 46 1HG2 THR 46 -24.032 19.022 -5.115 381 HG23 THR 46 2HG2 THR 46 -24.054 20.466 -4.102 382 H GLU 47 H GLU 47 -21.904 22.629 -5.103 383 HA GLU 47 HA GLU 47 -19.365 23.570 -5.797 384 HB2 GLU 47 2HB GLU 47 -21.046 25.195 -5.567 385 HB3 GLU 47 3HB GLU 47 -21.512 24.617 -3.974 386 HG2 GLU 47 2HG GLU 47 -19.449 25.473 -3.032 387 HG3 GLU 47 3HG GLU 47 -18.922 26.002 -4.628 388 H ASP 48 H ASP 48 -20.461 21.887 -2.994 389 HA ASP 48 HA ASP 48 -18.067 22.586 -1.471 390 HB2 ASP 48 2HB ASP 48 -20.721 21.944 -0.759 391 HB3 ASP 48 3HB ASP 48 -19.721 20.615 -0.179 392 H ASP 49 H ASP 49 -18.808 20.455 -3.822 393 HA ASP 49 HA ASP 49 -16.982 18.408 -2.745 394 HB2 ASP 49 2HB ASP 49 -19.495 17.825 -3.243 395 HB3 ASP 49 3HB ASP 49 -18.945 17.773 -4.916 396 H ILE 50 H ILE 50 -17.376 20.821 -5.005 397 HA ILE 50 HA ILE 50 -15.655 19.555 -7.007 398 HB ILE 50 HB ILE 50 -17.638 20.753 -7.825 399 HG12 ILE 50 2HG1 ILE 50 -15.973 22.598 -9.079 400 HG13 ILE 50 3HG1 ILE 50 -14.888 21.294 -8.609 401 HG21 ILE 50 1HG2 ILE 50 -17.050 22.592 -5.871 402 HG22 ILE 50 2HG2 ILE 50 -16.601 23.433 -7.353 403 HG23 ILE 50 3HG2 ILE 50 -18.235 22.800 -7.160 404 HD11 ILE 50 3HD1 ILE 50 -15.578 20.711 -10.743 405 HD12 ILE 50 1HD1 ILE 50 -16.614 19.743 -9.696 406 HD13 ILE 50 2HD1 ILE 50 -17.243 21.210 -10.447 407 H ARG 51 H ARG 51 -15.691 22.133 -4.635 408 HA ARG 51 HA ARG 51 -13.162 23.229 -5.465 409 HB2 ARG 51 2HB ARG 51 -13.555 24.898 -3.963 410 HB3 ARG 51 3HB ARG 51 -15.205 24.313 -4.137 411 HG2 ARG 51 2HG ARG 51 -13.331 23.388 -1.975 412 HG3 ARG 51 3HG ARG 51 -14.464 24.727 -1.788 413 HD2 ARG 51 2HD ARG 51 -16.336 23.299 -2.081 414 HD3 ARG 51 3HD ARG 51 -15.317 21.967 -2.626 415 HE ARG 51 HE ARG 51 -15.001 21.398 -0.443 416 HH11 ARG 51 1HH1 ARG 51 -15.993 24.732 -0.585 417 HH12 ARG 51 2HH1 ARG 51 -16.094 24.911 1.135 418 HH21 ARG 51 1HH2 ARG 51 -15.130 21.621 1.823 419 HH22 ARG 51 2HH2 ARG 51 -15.601 23.142 2.504 420 H THR 52 H THR 52 -14.185 20.632 -3.511 421 HA THR 52 HA THR 52 -11.780 20.577 -1.883 422 HB THR 52 HB THR 52 -13.890 19.885 -0.856 423 HG1 THR 52 HG1 THR 52 -12.162 18.866 0.055 424 HG21 THR 52 3HG2 THR 52 -15.307 18.335 -1.701 425 HG22 THR 52 1HG2 THR 52 -14.001 17.324 -2.319 426 HG23 THR 52 2HG2 THR 52 -14.519 18.747 -3.224 427 H LYS 53 H LYS 53 -13.127 18.971 -4.689 428 HA LYS 53 HA LYS 53 -10.804 17.183 -4.817 429 HB2 LYS 53 2HB LYS 53 -13.203 17.090 -6.634 430 HB3 LYS 53 3HB LYS 53 -12.043 15.813 -6.295 431 HG2 LYS 53 2HG LYS 53 -14.118 16.905 -4.407 432 HG3 LYS 53 3HG LYS 53 -14.132 15.330 -5.203 433 HD2 LYS 53 2HD LYS 53 -12.014 16.255 -3.263 434 HD3 LYS 53 3HD LYS 53 -13.391 15.236 -2.835 435 HE2 LYS 53 2HE LYS 53 -12.229 13.445 -3.444 436 HE3 LYS 53 3HE LYS 53 -12.159 14.068 -5.092 437 HZ1 LYS 53 3HZ LYS 53 -9.973 13.559 -3.912 438 HZ2 LYS 53 1HZ LYS 53 -10.247 14.979 -3.034 439 HZ3 LYS 53 2HZ LYS 53 -10.097 15.041 -4.717 440 H TYR 54 H TYR 54 -12.398 19.818 -6.463 441 HA TYR 54 HA TYR 54 -10.138 19.931 -8.348 442 HB2 TYR 54 2HB TYR 54 -12.890 20.895 -9.082 443 HB3 TYR 54 3HB TYR 54 -11.539 20.510 -10.143 444 HD1 TYR 54 HD1 TYR 54 -10.789 18.016 -10.178 445 HD2 TYR 54 HD2 TYR 54 -14.581 19.335 -8.769 446 HE1 TYR 54 HE1 TYR 54 -11.694 15.755 -10.517 447 HE2 TYR 54 HE2 TYR 54 -15.497 17.077 -9.104 448 HH TYR 54 HH TYR 54 -14.255 14.578 -9.171 449 H GLY 55 H GLY 55 -10.453 21.245 -5.782 450 HA2 GLY 55 2HA GLY 55 -11.342 23.869 -5.896 451 HA3 GLY 55 3HA GLY 55 -10.024 23.311 -4.877 452 H ASP 56 H ASP 56 -8.636 22.462 -7.478 453 HA ASP 56 HA ASP 56 -6.974 24.720 -7.718 454 HB2 ASP 56 2HB ASP 56 -6.701 22.131 -8.403 455 HB3 ASP 56 3HB ASP 56 -7.070 22.810 -9.986 456 H LEU 57 H LEU 57 -9.379 23.390 -9.988 457 HA LEU 57 HA LEU 57 -9.199 25.725 -11.678 458 HB2 LEU 57 2HB LEU 57 -11.284 24.470 -12.710 459 HB3 LEU 57 3HB LEU 57 -9.629 23.944 -13.013 460 HG LEU 57 HG LEU 57 -11.016 22.714 -10.703 461 HD11 LEU 57 1HD1 LEU 57 -11.674 21.161 -12.972 462 HD12 LEU 57 2HD1 LEU 57 -12.257 22.800 -13.260 463 HD13 LEU 57 3HD1 LEU 57 -12.761 21.926 -11.814 464 HD21 LEU 57 3HD2 LEU 57 -9.901 20.708 -12.023 465 HD22 LEU 57 1HD2 LEU 57 -8.959 21.772 -10.978 466 HD23 LEU 57 2HD2 LEU 57 -8.953 22.020 -12.724 467 H VAL 58 H VAL 58 -11.302 24.489 -9.181 468 HA VAL 58 HA VAL 58 -13.602 25.972 -9.591 469 HB VAL 58 HB VAL 58 -12.307 25.181 -6.981 470 HG11 VAL 58 1HG1 VAL 58 -14.748 26.720 -7.557 471 HG12 VAL 58 2HG1 VAL 58 -14.941 25.394 -6.409 472 HG13 VAL 58 3HG1 VAL 58 -13.756 26.663 -6.100 473 HG21 VAL 58 3HG2 VAL 58 -13.049 23.139 -7.444 474 HG22 VAL 58 1HG2 VAL 58 -14.695 23.761 -7.566 475 HG23 VAL 58 2HG2 VAL 58 -13.665 23.708 -8.996 476 H ASP 59 H ASP 59 -10.616 26.912 -7.937 477 HA ASP 59 HA ASP 59 -11.616 29.530 -7.275 478 HB2 ASP 59 2HB ASP 59 -9.366 27.909 -6.548 479 HB3 ASP 59 3HB ASP 59 -8.789 29.483 -7.090 480 H ASP 60 H ASP 60 -10.804 28.231 -10.128 481 HA ASP 60 HA ASP 60 -9.515 30.675 -11.141 482 HB2 ASP 60 2HB ASP 60 -9.296 27.816 -11.848 483 HB3 ASP 60 3HB ASP 60 -9.338 28.928 -13.214 484 H PHE 61 H PHE 61 -12.402 28.861 -11.148 485 HA PHE 61 HA PHE 61 -13.387 30.211 -13.560 486 HB2 PHE 61 2HB PHE 61 -13.779 27.847 -13.613 487 HB3 PHE 61 3HB PHE 61 -14.450 27.863 -11.986 488 HD1 PHE 61 HD1 PHE 61 -15.053 28.850 -15.484 489 HD2 PHE 61 HD2 PHE 61 -16.725 28.385 -11.598 490 HE1 PHE 61 HE1 PHE 61 -17.308 29.141 -16.424 491 HE2 PHE 61 HE2 PHE 61 -18.983 28.675 -12.531 492 HZ PHE 61 HZ PHE 61 -19.277 29.053 -14.947 493 H GLU 62 H GLU 62 -14.727 29.321 -10.373 494 HA GLU 62 HA GLU 62 -16.797 31.186 -10.374 495 HB2 GLU 62 2HB GLU 62 -17.109 30.672 -8.102 496 HB3 GLU 62 3HB GLU 62 -16.421 29.210 -8.795 497 HG2 GLU 62 2HG GLU 62 -14.160 30.284 -8.017 498 HG3 GLU 62 3HG GLU 62 -15.212 31.170 -6.915 499 H LYS 63 H LYS 63 -13.440 31.499 -9.396 500 HA LYS 63 HA LYS 63 -13.741 34.067 -8.182 501 HB2 LYS 63 2HB LYS 63 -11.260 32.697 -9.236 502 HB3 LYS 63 3HB LYS 63 -11.279 34.125 -8.209 503 HG2 LYS 63 2HG LYS 63 -12.372 31.428 -7.433 504 HG3 LYS 63 3HG LYS 63 -10.786 32.055 -6.975 505 HD2 LYS 63 2HD LYS 63 -12.683 34.039 -6.311 506 HD3 LYS 63 3HD LYS 63 -13.325 32.498 -5.736 507 HE2 LYS 63 2HE LYS 63 -10.850 32.195 -4.867 508 HE3 LYS 63 3HE LYS 63 -10.857 33.956 -4.933 509 HZ1 LYS 63 3HZ LYS 63 -11.630 33.615 -2.833 510 HZ2 LYS 63 1HZ LYS 63 -12.395 32.155 -3.211 511 HZ3 LYS 63 2HZ LYS 63 -13.105 33.623 -3.660 512 H ASN 64 H ASN 64 -13.883 33.074 -11.355 513 HA ASN 64 HA ASN 64 -12.825 35.609 -12.393 514 HB2 ASN 64 2HB ASN 64 -13.359 32.932 -13.654 515 HB3 ASN 64 3HB ASN 64 -13.202 34.379 -14.646 516 HD21 ASN 64 1HD2 ASN 64 -11.494 33.444 -11.697 517 HD22 ASN 64 2HD2 ASN 64 -9.916 33.445 -12.401 518 H GLN 65 H GLN 65 -15.714 33.613 -12.241 519 HA GLN 65 HA GLN 65 -17.241 35.613 -13.727 520 HB2 GLN 65 2HB GLN 65 -18.995 33.999 -13.854 521 HB3 GLN 65 3HB GLN 65 -17.491 33.160 -14.212 522 HG2 GLN 65 2HG GLN 65 -17.955 31.687 -12.637 523 HG3 GLN 65 3HG GLN 65 -17.896 32.971 -11.430 524 HE21 GLN 65 1HE2 GLN 65 -19.854 34.070 -10.909 525 HE22 GLN 65 2HE2 GLN 65 -21.379 33.286 -11.119 526 H LYS 66 H LYS 66 -16.331 35.069 -10.601 527 HA LYS 66 HA LYS 66 -18.570 35.356 -9.023 528 HB2 LYS 66 2HB LYS 66 -17.013 36.618 -7.443 529 HB3 LYS 66 3HB LYS 66 -16.517 35.000 -7.922 530 HG2 LYS 66 2HG LYS 66 -14.996 35.958 -9.580 531 HG3 LYS 66 3HG LYS 66 -15.488 37.580 -9.087 532 HD2 LYS 66 2HD LYS 66 -14.387 35.618 -7.102 533 HD3 LYS 66 3HD LYS 66 -13.317 36.603 -8.102 534 HE2 LYS 66 2HE LYS 66 -13.756 38.471 -6.937 535 HE3 LYS 66 3HE LYS 66 -15.476 38.104 -6.813 536 HZ1 LYS 66 3HZ LYS 66 -13.485 36.636 -5.201 537 HZ2 LYS 66 1HZ LYS 66 -15.144 36.818 -4.925 538 HZ3 LYS 66 2HZ LYS 66 -14.099 38.125 -4.683 539 H LYS 67 H LYS 67 -16.938 37.756 -10.971 540 HA LYS 67 HA LYS 67 -18.649 39.881 -9.916 541 HB2 LYS 67 2HB LYS 67 -16.021 39.906 -10.637 542 HB3 LYS 67 3HB LYS 67 -16.778 40.511 -12.105 543 HG2 LYS 67 2HG LYS 67 -16.877 42.517 -11.185 544 HG3 LYS 67 3HG LYS 67 -17.985 41.880 -9.968 545 HD2 LYS 67 2HD LYS 67 -15.854 41.081 -8.759 546 HD3 LYS 67 3HD LYS 67 -15.007 42.210 -9.819 547 HE2 LYS 67 2HE LYS 67 -15.826 44.027 -8.754 548 HE3 LYS 67 3HE LYS 67 -17.390 43.274 -8.449 549 HZ1 LYS 67 3HZ LYS 67 -16.538 43.369 -6.350 550 HZ2 LYS 67 1HZ LYS 67 -14.935 43.168 -6.851 551 HZ3 LYS 67 2HZ LYS 67 -15.980 41.839 -6.808 Start of MODEL 19 1 H1 MET 1 H MET 1 7.836 6.157 -25.823 2 HA MET 1 HA MET 1 9.184 5.071 -23.536 3 HB2 MET 1 2HB MET 1 9.570 8.018 -24.060 4 HB3 MET 1 3HB MET 1 10.252 7.065 -22.749 5 HG2 MET 1 2HG MET 1 12.070 6.831 -23.986 6 HG3 MET 1 3HG MET 1 11.126 5.797 -25.056 7 HE1 MET 1 3HE MET 1 13.723 7.709 -26.436 8 HE2 MET 1 1HE MET 1 12.824 6.213 -26.689 9 HE3 MET 1 2HE MET 1 12.731 7.510 -27.881 10 H HIS 2 H HIS 2 6.605 4.851 -23.959 11 HA HIS 2 HA HIS 2 5.437 6.521 -21.892 12 HB2 HIS 2 2HB HIS 2 3.455 7.077 -23.293 13 HB3 HIS 2 3HB HIS 2 4.938 7.842 -23.856 14 HD1 HIS 2 HD1 HIS 2 4.865 7.906 -26.320 15 HD2 HIS 2 HD2 HIS 2 3.384 4.322 -24.831 16 HE1 HIS 2 HE1 HIS 2 4.320 6.513 -28.341 17 H HIS 3 H HIS 3 3.124 5.780 -21.438 18 HA HIS 3 HA HIS 3 1.801 4.098 -20.654 19 HB2 HIS 3 2HB HIS 3 1.352 4.030 -23.141 20 HB3 HIS 3 3HB HIS 3 2.500 2.697 -23.238 21 HD1 HIS 3 HD1 HIS 3 1.640 0.405 -22.686 22 HD2 HIS 3 HD2 HIS 3 -1.014 3.411 -21.599 23 HE1 HIS 3 HE1 HIS 3 -0.471 -0.778 -22.002 24 H HIS 4 H HIS 4 3.732 3.801 -19.145 25 HA HIS 4 HA HIS 4 5.129 1.269 -19.555 26 HB2 HIS 4 2HB HIS 4 5.460 3.522 -17.583 27 HB3 HIS 4 3HB HIS 4 6.279 1.977 -17.371 28 HD1 HIS 4 HD1 HIS 4 7.965 1.303 -19.351 29 HD2 HIS 4 HD2 HIS 4 6.704 5.261 -19.281 30 HE1 HIS 4 HE1 HIS 4 9.589 2.553 -20.810 31 H HIS 5 H HIS 5 2.736 2.762 -17.466 32 HA HIS 5 HA HIS 5 1.876 0.143 -16.576 33 HB2 HIS 5 2HB HIS 5 2.893 2.237 -14.650 34 HB3 HIS 5 3HB HIS 5 1.893 0.872 -14.161 35 HD1 HIS 5 HD1 HIS 5 5.333 1.714 -15.398 36 HD2 HIS 5 HD2 HIS 5 3.211 -1.571 -13.995 37 HE1 HIS 5 HE1 HIS 5 7.053 -0.077 -14.999 38 H HIS 6 H HIS 6 -0.040 0.513 -14.925 39 HA HIS 6 HA HIS 6 -1.768 2.552 -16.151 40 HB2 HIS 6 2HB HIS 6 -3.643 1.123 -15.241 41 HB3 HIS 6 3HB HIS 6 -2.671 0.371 -16.502 42 HD1 HIS 6 HD1 HIS 6 -1.374 -1.728 -15.892 43 HD2 HIS 6 HD2 HIS 6 -3.266 0.035 -12.640 44 HE1 HIS 6 HE1 HIS 6 -1.195 -3.400 -14.022 45 H HIS 7 H HIS 7 -0.242 3.742 -14.402 46 HA HIS 7 HA HIS 7 -0.903 3.622 -11.689 47 HB2 HIS 7 2HB HIS 7 0.569 5.411 -13.442 48 HB3 HIS 7 3HB HIS 7 -0.290 6.298 -12.187 49 HD1 HIS 7 HD1 HIS 7 0.831 6.414 -9.973 50 HD2 HIS 7 HD2 HIS 7 2.315 3.320 -12.316 51 HE1 HIS 7 HE1 HIS 7 2.767 5.463 -8.682 52 H GLU 8 H GLU 8 -2.436 5.299 -14.365 53 HA GLU 8 HA GLU 8 -4.353 6.521 -14.528 54 HB2 GLU 8 2HB GLU 8 -5.066 4.185 -13.564 55 HB3 GLU 8 3HB GLU 8 -5.421 5.112 -12.113 56 HG2 GLU 8 2HG GLU 8 -6.870 6.590 -13.506 57 HG3 GLU 8 3HG GLU 8 -6.622 5.471 -14.845 58 H VAL 9 H VAL 9 -2.296 7.731 -13.010 59 HA VAL 9 HA VAL 9 -1.950 9.562 -11.701 60 HB VAL 9 HB VAL 9 -4.960 9.756 -11.829 61 HG11 VAL 9 1HG1 VAL 9 -4.553 12.143 -11.133 62 HG12 VAL 9 2HG1 VAL 9 -4.308 10.932 -9.873 63 HG13 VAL 9 3HG1 VAL 9 -2.919 11.651 -10.688 64 HG21 VAL 9 3HG2 VAL 9 -4.629 11.373 -13.539 65 HG22 VAL 9 1HG2 VAL 9 -2.889 11.411 -13.256 66 HG23 VAL 9 2HG2 VAL 9 -3.636 9.978 -13.960 67 HA PRO 10 HA PRO 10 -2.187 7.697 -7.683 68 HB2 PRO 10 2HB PRO 10 -0.765 9.599 -6.368 69 HB3 PRO 10 3HB PRO 10 -0.013 8.389 -7.414 70 HG2 PRO 10 2HG PRO 10 -0.707 11.239 -8.011 71 HG3 PRO 10 3HG PRO 10 0.761 10.335 -8.425 72 HD2 PRO 10 2HD PRO 10 -1.227 10.779 -10.208 73 HD3 PRO 10 3HD PRO 10 -0.228 9.312 -10.238 74 H GLN 11 H GLN 11 -4.593 8.425 -7.990 75 HA GLN 11 HA GLN 11 -6.457 9.482 -7.196 76 HB2 GLN 11 2HB GLN 11 -4.739 9.436 -4.710 77 HB3 GLN 11 3HB GLN 11 -6.463 9.784 -4.719 78 HG2 GLN 11 2HG GLN 11 -5.066 7.206 -5.320 79 HG3 GLN 11 3HG GLN 11 -6.316 7.539 -4.121 80 HE21 GLN 11 1HE2 GLN 11 -5.638 6.867 -7.450 81 HE22 GLN 11 2HE2 GLN 11 -7.270 6.582 -7.941 82 H THR 12 H THR 12 -6.020 11.348 -8.571 83 HA THR 12 HA THR 12 -5.921 13.776 -6.995 84 HB THR 12 HB THR 12 -3.916 13.319 -9.213 85 HG1 THR 12 HG1 THR 12 -2.470 13.102 -7.641 86 HG21 THR 12 3HG2 THR 12 -3.128 15.577 -8.702 87 HG22 THR 12 1HG2 THR 12 -4.415 15.766 -7.512 88 HG23 THR 12 2HG2 THR 12 -4.813 15.603 -9.222 89 H PHE 13 H PHE 13 -6.207 12.240 -10.154 90 HA PHE 13 HA PHE 13 -7.569 12.649 -11.929 91 HB2 PHE 13 2HB PHE 13 -9.084 13.324 -9.676 92 HB3 PHE 13 3HB PHE 13 -9.293 14.677 -10.782 93 HD1 PHE 13 HD2 PHE 13 -9.507 10.976 -10.592 94 HD2 PHE 13 HD1 PHE 13 -10.790 14.530 -12.551 95 HE1 PHE 13 HE2 PHE 13 -11.161 9.673 -11.865 96 HE2 PHE 13 HE1 PHE 13 -12.447 13.234 -13.826 97 HZ PHE 13 HZ PHE 13 -12.633 10.802 -13.485 98 H GLU 14 H GLU 14 -6.474 13.696 -13.466 99 HA GLU 14 HA GLU 14 -5.708 16.476 -13.105 100 HB2 GLU 14 2HB GLU 14 -5.073 14.370 -15.150 101 HB3 GLU 14 3HB GLU 14 -4.714 16.062 -15.465 102 HG2 GLU 14 2HG GLU 14 -3.765 15.217 -12.863 103 HG3 GLU 14 3HG GLU 14 -3.093 14.242 -14.169 104 H VAL 15 H VAL 15 -7.569 17.676 -13.258 105 HA VAL 15 HA VAL 15 -9.200 17.386 -15.679 106 HB VAL 15 HB VAL 15 -9.780 19.083 -13.250 107 HG11 VAL 15 1HG1 VAL 15 -11.103 18.636 -15.821 108 HG12 VAL 15 2HG1 VAL 15 -12.163 18.451 -14.421 109 HG13 VAL 15 3HG1 VAL 15 -11.279 19.958 -14.667 110 HG21 VAL 15 3HG2 VAL 15 -10.191 16.206 -13.777 111 HG22 VAL 15 1HG2 VAL 15 -10.000 17.066 -12.249 112 HG23 VAL 15 2HG2 VAL 15 -11.557 17.075 -13.077 113 H GLU 16 H GLU 16 -9.689 19.172 -16.999 114 HA GLU 16 HA GLU 16 -7.528 20.979 -17.393 115 HB2 GLU 16 2HB GLU 16 -9.952 20.215 -18.786 116 HB3 GLU 16 3HB GLU 16 -9.710 21.956 -18.842 117 HG2 GLU 16 2HG GLU 16 -7.312 20.373 -19.412 118 HG3 GLU 16 3HG GLU 16 -8.623 20.179 -20.575 119 H ARG 17 H ARG 17 -10.969 21.718 -16.804 120 HA ARG 17 HA ARG 17 -10.487 23.486 -14.661 121 HB2 ARG 17 2HB ARG 17 -10.406 25.568 -15.591 122 HB3 ARG 17 3HB ARG 17 -9.628 24.670 -16.886 123 HG2 ARG 17 2HG ARG 17 -12.542 25.422 -16.789 124 HG3 ARG 17 3HG ARG 17 -11.295 26.245 -17.729 125 HD2 ARG 17 2HD ARG 17 -11.814 23.308 -18.051 126 HD3 ARG 17 3HD ARG 17 -12.774 24.508 -18.916 127 HE ARG 17 HE ARG 17 -10.035 23.770 -19.430 128 HH11 ARG 17 1HH1 ARG 17 -12.503 26.190 -19.848 129 HH12 ARG 17 2HH1 ARG 17 -11.756 26.898 -21.242 130 HH21 ARG 17 1HH2 ARG 17 -9.042 24.694 -21.264 131 HH22 ARG 17 2HH2 ARG 17 -9.787 26.046 -22.047 132 H ILE 18 H ILE 18 -12.472 24.835 -14.173 133 HA ILE 18 HA ILE 18 -14.769 23.158 -14.326 134 HB ILE 18 HB ILE 18 -14.630 26.029 -13.401 135 HG12 ILE 18 2HG1 ILE 18 -13.063 24.285 -12.300 136 HG13 ILE 18 3HG1 ILE 18 -14.066 25.286 -11.255 137 HG21 ILE 18 1HG2 ILE 18 -16.554 24.940 -11.912 138 HG22 ILE 18 2HG2 ILE 18 -16.870 25.682 -13.480 139 HG23 ILE 18 3HG2 ILE 18 -16.716 23.930 -13.349 140 HD11 ILE 18 3HD1 ILE 18 -15.107 22.644 -12.131 141 HD12 ILE 18 1HD1 ILE 18 -13.866 22.705 -10.879 142 HD13 ILE 18 2HD1 ILE 18 -15.402 23.539 -10.641 143 H VAL 19 H VAL 19 -15.987 22.957 -16.080 144 HA VAL 19 HA VAL 19 -15.997 24.697 -18.273 145 HB VAL 19 HB VAL 19 -18.261 22.844 -17.541 146 HG11 VAL 19 1HG1 VAL 19 -19.024 23.147 -19.623 147 HG12 VAL 19 2HG1 VAL 19 -17.999 24.584 -19.640 148 HG13 VAL 19 3HG1 VAL 19 -17.408 23.069 -20.324 149 HG21 VAL 19 3HG2 VAL 19 -16.884 21.256 -19.083 150 HG22 VAL 19 1HG2 VAL 19 -15.522 22.255 -18.576 151 HG23 VAL 19 2HG2 VAL 19 -16.476 21.389 -17.372 152 H ARG 20 H ARG 20 -18.533 24.221 -15.807 153 HA ARG 20 HA ARG 20 -19.132 27.027 -15.754 154 HB2 ARG 20 2HB ARG 20 -21.457 26.838 -16.505 155 HB3 ARG 20 3HB ARG 20 -20.337 26.395 -17.786 156 HG2 ARG 20 2HG ARG 20 -21.225 24.138 -16.155 157 HG3 ARG 20 3HG ARG 20 -22.521 24.954 -17.032 158 HD2 ARG 20 2HD ARG 20 -20.160 24.568 -18.673 159 HD3 ARG 20 3HD ARG 20 -20.784 23.045 -18.041 160 HE ARG 20 HE ARG 20 -22.733 24.818 -19.256 161 HH11 ARG 20 1HH1 ARG 20 -20.607 22.088 -19.632 162 HH12 ARG 20 2HH1 ARG 20 -21.448 21.457 -21.009 163 HH21 ARG 20 1HH2 ARG 20 -23.849 23.998 -21.068 164 HH22 ARG 20 2HH2 ARG 20 -23.291 22.545 -21.826 165 H LYS 21 H LYS 21 -21.568 27.072 -14.597 166 HA LYS 21 HA LYS 21 -21.758 25.061 -12.529 167 HB2 LYS 21 2HB LYS 21 -21.390 26.501 -10.659 168 HB3 LYS 21 3HB LYS 21 -19.998 26.662 -11.723 169 HG2 LYS 21 2HG LYS 21 -20.663 28.786 -12.456 170 HG3 LYS 21 3HG LYS 21 -22.300 28.583 -11.826 171 HD2 LYS 21 2HD LYS 21 -20.789 28.265 -9.575 172 HD3 LYS 21 3HD LYS 21 -19.850 29.460 -10.473 173 HE2 LYS 21 2HE LYS 21 -22.178 30.604 -10.800 174 HE3 LYS 21 3HE LYS 21 -22.629 29.643 -9.393 175 HZ1 LYS 21 3HZ LYS 21 -20.129 31.058 -9.117 176 HZ2 LYS 21 1HZ LYS 21 -21.425 30.928 -8.037 177 HZ3 LYS 21 2HZ LYS 21 -21.476 32.068 -9.285 178 H LYS 22 H LYS 22 -23.674 25.298 -11.216 179 HA LYS 22 HA LYS 22 -25.570 27.355 -11.630 180 HB2 LYS 22 2HB LYS 22 -27.188 26.302 -13.005 181 HB3 LYS 22 3HB LYS 22 -25.653 26.129 -13.847 182 HG2 LYS 22 2HG LYS 22 -26.121 23.969 -14.021 183 HG3 LYS 22 3HG LYS 22 -25.824 23.849 -12.285 184 HD2 LYS 22 2HD LYS 22 -27.935 23.140 -12.112 185 HD3 LYS 22 3HD LYS 22 -28.411 24.808 -12.437 186 HE2 LYS 22 2HE LYS 22 -28.137 24.079 -14.936 187 HE3 LYS 22 3HE LYS 22 -28.339 22.457 -14.275 188 HZ1 LYS 22 3HZ LYS 22 -30.254 24.568 -13.552 189 HZ2 LYS 22 1HZ LYS 22 -30.482 22.893 -13.619 190 HZ3 LYS 22 2HZ LYS 22 -30.397 23.794 -15.048 191 H ILE 23 H ILE 23 -27.297 27.204 -10.217 192 HA ILE 23 HA ILE 23 -27.188 24.921 -8.360 193 HB ILE 23 HB ILE 23 -27.820 26.301 -6.598 194 HG12 ILE 23 2HG1 ILE 23 -28.454 28.819 -7.336 195 HG13 ILE 23 3HG1 ILE 23 -29.050 27.940 -8.740 196 HG21 ILE 23 1HG2 ILE 23 -26.094 27.787 -6.449 197 HG22 ILE 23 2HG2 ILE 23 -25.562 26.853 -7.846 198 HG23 ILE 23 3HG2 ILE 23 -26.347 28.416 -8.077 199 HD11 ILE 23 3HD1 ILE 23 -29.893 26.608 -6.361 200 HD12 ILE 23 1HD1 ILE 23 -30.316 28.317 -6.268 201 HD13 ILE 23 2HD1 ILE 23 -30.865 27.345 -7.634 202 H VAL 24 H VAL 24 -29.128 24.028 -7.573 203 HA VAL 24 HA VAL 24 -31.589 24.799 -8.976 204 HB VAL 24 HB VAL 24 -31.244 21.897 -8.578 205 HG11 VAL 24 1HG1 VAL 24 -32.767 21.760 -10.237 206 HG12 VAL 24 2HG1 VAL 24 -33.064 23.448 -9.818 207 HG13 VAL 24 3HG1 VAL 24 -32.016 23.047 -11.180 208 HG21 VAL 24 3HG2 VAL 24 -29.651 23.395 -10.656 209 HG22 VAL 24 1HG2 VAL 24 -29.020 22.383 -9.356 210 HG23 VAL 24 2HG2 VAL 24 -29.935 21.655 -10.676 211 H HIS 25 H HIS 25 -33.194 25.095 -7.587 212 HA HIS 25 HA HIS 25 -34.435 25.077 -5.679 213 HB2 HIS 25 2HB HIS 25 -34.272 22.510 -6.503 214 HB3 HIS 25 3HB HIS 25 -33.557 22.358 -4.901 215 HD1 HIS 25 HD1 HIS 25 -36.559 24.387 -6.075 216 HD2 HIS 25 HD2 HIS 25 -35.550 21.439 -3.326 217 HE1 HIS 25 HE1 HIS 25 -38.650 23.965 -4.743 218 H GLY 26 H GLY 26 -31.544 25.812 -5.567 219 HA2 GLY 26 2HA GLY 26 -30.456 26.836 -3.737 220 HA3 GLY 26 3HA GLY 26 -31.336 25.773 -2.649 221 H ASN 27 H ASN 27 -30.088 24.054 -5.250 222 HA ASN 27 HA ASN 27 -27.819 23.156 -3.603 223 HB2 ASN 27 2HB ASN 27 -29.328 21.647 -5.749 224 HB3 ASN 27 3HB ASN 27 -27.994 21.011 -4.791 225 HD21 ASN 27 1HD2 ASN 27 -31.335 21.944 -4.796 226 HD22 ASN 27 2HD2 ASN 27 -31.751 21.218 -3.284 227 H THR 28 H THR 28 -26.035 24.169 -4.286 228 HA THR 28 HA THR 28 -25.620 25.079 -6.938 229 HB THR 28 HB THR 28 -23.337 24.578 -5.060 230 HG1 THR 28 HG1 THR 28 -24.713 25.547 -3.659 231 HG21 THR 28 3HG2 THR 28 -22.362 26.439 -6.087 232 HG22 THR 28 1HG2 THR 28 -23.908 27.035 -6.688 233 HG23 THR 28 2HG2 THR 28 -23.171 25.608 -7.415 234 H SER 29 H SER 29 -24.359 24.268 -8.587 235 HA SER 29 HA SER 29 -23.128 21.638 -8.232 236 HB2 SER 29 2HB SER 29 -25.117 22.264 -10.428 237 HB3 SER 29 3HB SER 29 -24.196 20.768 -10.270 238 HG SER 29 HG SER 29 -25.574 20.100 -8.835 239 H TYR 30 H TYR 30 -21.175 21.584 -9.120 240 HA TYR 30 HA TYR 30 -20.458 23.686 -11.040 241 HB2 TYR 30 2HB TYR 30 -18.904 22.106 -9.025 242 HB3 TYR 30 3HB TYR 30 -18.070 22.796 -10.412 243 HD1 TYR 30 HD2 TYR 30 -20.801 24.093 -8.213 244 HD2 TYR 30 HD1 TYR 30 -16.863 24.641 -9.727 245 HE1 TYR 30 HE2 TYR 30 -20.660 26.253 -7.046 246 HE2 TYR 30 HE1 TYR 30 -16.710 26.802 -8.563 247 HH TYR 30 HH TYR 30 -19.213 28.486 -7.475 248 H LEU 31 H LEU 31 -20.162 23.180 -13.101 249 HA LEU 31 HA LEU 31 -20.017 20.364 -13.865 250 HB2 LEU 31 2HB LEU 31 -21.610 22.151 -14.866 251 HB3 LEU 31 3HB LEU 31 -20.194 22.649 -15.790 252 HG LEU 31 HG LEU 31 -20.150 20.670 -17.020 253 HD11 LEU 31 1HD1 LEU 31 -21.559 19.542 -14.677 254 HD12 LEU 31 2HD1 LEU 31 -20.267 18.861 -15.664 255 HD13 LEU 31 3HD1 LEU 31 -21.929 18.837 -16.251 256 HD21 LEU 31 3HD2 LEU 31 -22.026 20.967 -18.202 257 HD22 LEU 31 1HD2 LEU 31 -22.415 22.205 -17.008 258 HD23 LEU 31 2HD2 LEU 31 -23.064 20.574 -16.832 259 H VAL 32 H VAL 32 -18.032 19.543 -13.964 260 HA VAL 32 HA VAL 32 -15.903 21.184 -15.176 261 HB VAL 32 HB VAL 32 -15.629 20.576 -12.719 262 HG11 VAL 32 1HG1 VAL 32 -16.474 18.271 -12.917 263 HG12 VAL 32 2HG1 VAL 32 -15.056 17.852 -13.880 264 HG13 VAL 32 3HG1 VAL 32 -14.867 18.338 -12.195 265 HG21 VAL 32 3HG2 VAL 32 -13.206 19.815 -13.121 266 HG22 VAL 32 1HG2 VAL 32 -13.603 19.936 -14.835 267 HG23 VAL 32 2HG2 VAL 32 -13.715 21.360 -13.801 268 H LYS 33 H LYS 33 -14.567 20.246 -16.694 269 HA LYS 33 HA LYS 33 -15.618 17.827 -17.939 270 HB2 LYS 33 2HB LYS 33 -14.184 18.434 -19.840 271 HB3 LYS 33 3HB LYS 33 -15.240 19.761 -19.377 272 HG2 LYS 33 2HG LYS 33 -13.385 20.823 -18.189 273 HG3 LYS 33 3HG LYS 33 -12.325 19.493 -18.665 274 HD2 LYS 33 2HD LYS 33 -11.832 21.011 -20.308 275 HD3 LYS 33 3HD LYS 33 -13.160 20.142 -21.080 276 HE2 LYS 33 2HE LYS 33 -14.711 21.859 -20.523 277 HE3 LYS 33 3HE LYS 33 -13.545 22.654 -19.466 278 HZ1 LYS 33 3HZ LYS 33 -12.411 23.534 -21.221 279 HZ2 LYS 33 1HZ LYS 33 -13.969 23.512 -21.881 280 HZ3 LYS 33 2HZ LYS 33 -12.859 22.305 -22.294 281 H TRP 34 H TRP 34 -13.324 16.947 -19.257 282 HA TRP 34 HA TRP 34 -11.516 16.153 -17.079 283 HB2 TRP 34 2HB TRP 34 -12.240 14.130 -19.153 284 HB3 TRP 34 3HB TRP 34 -11.728 13.892 -17.485 285 HD1 TRP 34 HD1 TRP 34 -13.806 15.150 -15.737 286 HE1 TRP 34 HE1 TRP 34 -16.294 14.493 -15.791 287 HE3 TRP 34 HE3 TRP 34 -13.999 13.090 -20.412 288 HZ2 TRP 34 HZ2 TRP 34 -18.099 13.263 -17.579 289 HZ3 TRP 34 HZ3 TRP 34 -16.145 12.196 -21.219 290 HH2 TRP 34 HH2 TRP 34 -18.151 12.281 -19.830 291 H LYS 35 H LYS 35 -9.992 17.625 -17.920 292 HA LYS 35 HA LYS 35 -8.262 18.325 -19.226 293 HB2 LYS 35 2HB LYS 35 -7.669 15.881 -18.641 294 HB3 LYS 35 3HB LYS 35 -8.112 15.520 -20.304 295 HG2 LYS 35 2HG LYS 35 -6.437 17.546 -20.753 296 HG3 LYS 35 3HG LYS 35 -5.764 16.957 -19.231 297 HD2 LYS 35 2HD LYS 35 -6.122 14.626 -20.563 298 HD3 LYS 35 3HD LYS 35 -5.779 15.721 -21.905 299 HE2 LYS 35 2HE LYS 35 -3.723 16.439 -20.791 300 HE3 LYS 35 3HE LYS 35 -4.070 15.354 -19.445 301 HZ1 LYS 35 3HZ LYS 35 -3.165 14.720 -22.158 302 HZ2 LYS 35 1HZ LYS 35 -4.153 13.598 -21.365 303 HZ3 LYS 35 2HZ LYS 35 -2.678 14.061 -20.677 304 H ASN 36 H ASN 36 -10.894 18.581 -20.345 305 HA ASN 36 HA ASN 36 -11.899 19.191 -22.291 306 HB2 ASN 36 2HB ASN 36 -9.069 19.683 -22.694 307 HB3 ASN 36 3HB ASN 36 -9.865 19.269 -24.210 308 HD21 ASN 36 1HD2 ASN 36 -10.108 21.384 -21.396 309 HD22 ASN 36 2HD2 ASN 36 -10.858 22.700 -22.228 310 H TYR 37 H TYR 37 -11.232 16.314 -21.638 311 HA TYR 37 HA TYR 37 -10.838 14.953 -24.104 312 HB2 TYR 37 2HB TYR 37 -10.273 13.828 -22.056 313 HB3 TYR 37 3HB TYR 37 -11.909 14.024 -21.435 314 HD1 TYR 37 HD1 TYR 37 -13.753 12.668 -22.351 315 HD2 TYR 37 HD2 TYR 37 -9.726 12.061 -23.582 316 HE1 TYR 37 HE1 TYR 37 -14.375 10.479 -23.285 317 HE2 TYR 37 HE2 TYR 37 -10.337 9.871 -24.520 318 HH TYR 37 HH TYR 37 -12.251 8.127 -24.026 319 H SER 38 H SER 38 -13.564 16.381 -22.582 320 HA SER 38 HA SER 38 -15.236 16.062 -24.810 321 HB2 SER 38 2HB SER 38 -15.416 13.950 -22.730 322 HB3 SER 38 3HB SER 38 -16.942 14.599 -23.329 323 HG SER 38 HG SER 38 -16.100 12.773 -24.528 324 H SER 39 H SER 39 -15.049 18.337 -24.001 325 HA SER 39 HA SER 39 -16.079 19.316 -21.649 326 HB2 SER 39 2HB SER 39 -16.932 21.161 -23.559 327 HB3 SER 39 3HB SER 39 -15.378 21.158 -22.726 328 HG SER 39 HG SER 39 -15.130 21.187 -25.000 329 H LYS 40 H LYS 40 -17.872 18.745 -24.672 330 HA LYS 40 HA LYS 40 -20.384 19.551 -23.878 331 HB2 LYS 40 2HB LYS 40 -21.260 18.247 -25.654 332 HB3 LYS 40 3HB LYS 40 -19.658 18.756 -26.171 333 HG2 LYS 40 2HG LYS 40 -20.215 16.075 -24.931 334 HG3 LYS 40 3HG LYS 40 -20.255 16.373 -26.671 335 HD2 LYS 40 2HD LYS 40 -17.863 17.437 -26.101 336 HD3 LYS 40 3HD LYS 40 -17.954 16.233 -24.813 337 HE2 LYS 40 2HE LYS 40 -18.474 15.575 -27.703 338 HE3 LYS 40 3HE LYS 40 -16.867 15.494 -26.982 339 HZ1 LYS 40 3HZ LYS 40 -18.943 14.115 -25.510 340 HZ2 LYS 40 1HZ LYS 40 -17.367 13.623 -25.880 341 HZ3 LYS 40 2HZ LYS 40 -18.596 13.457 -27.029 342 H ASP 41 H ASP 41 -18.658 16.629 -23.057 343 HA ASP 41 HA ASP 41 -20.985 15.393 -21.847 344 HB2 ASP 41 2HB ASP 41 -18.965 14.221 -23.031 345 HB3 ASP 41 3HB ASP 41 -18.183 14.399 -21.462 346 H ASN 42 H ASN 42 -17.730 16.110 -20.573 347 HA ASN 42 HA ASN 42 -17.045 16.529 -18.427 348 HB2 ASN 42 2HB ASN 42 -17.966 18.577 -17.496 349 HB3 ASN 42 3HB ASN 42 -17.788 18.751 -19.240 350 HD21 ASN 42 1HD2 ASN 42 -19.360 20.060 -19.856 351 HD22 ASN 42 2HD2 ASN 42 -21.034 19.875 -19.472 352 H THR 43 H THR 43 -18.325 17.295 -16.125 353 HA THR 43 HA THR 43 -20.475 15.408 -15.600 354 HB THR 43 HB THR 43 -19.065 14.715 -13.468 355 HG1 THR 43 HG1 THR 43 -16.917 14.794 -13.759 356 HG21 THR 43 3HG2 THR 43 -19.381 12.751 -14.467 357 HG22 THR 43 1HG2 THR 43 -17.981 13.061 -15.493 358 HG23 THR 43 2HG2 THR 43 -19.589 13.554 -16.023 359 H TRP 44 H TRP 44 -21.724 15.943 -13.832 360 HA TRP 44 HA TRP 44 -21.318 18.631 -12.801 361 HB2 TRP 44 2HB TRP 44 -23.629 16.802 -12.165 362 HB3 TRP 44 3HB TRP 44 -23.581 18.561 -12.094 363 HD1 TRP 44 HD1 TRP 44 -23.993 19.894 -14.341 364 HE1 TRP 44 HE1 TRP 44 -24.858 19.190 -16.660 365 HE3 TRP 44 HE3 TRP 44 -23.579 14.821 -13.856 366 HZ2 TRP 44 HZ2 TRP 44 -25.306 16.801 -18.095 367 HZ3 TRP 44 HZ3 TRP 44 -24.248 13.398 -15.748 368 HH2 TRP 44 HH2 TRP 44 -25.094 14.369 -17.823 369 H GLU 45 H GLU 45 -20.658 19.119 -10.799 370 HA GLU 45 HA GLU 45 -20.711 17.047 -8.729 371 HB2 GLU 45 2HB GLU 45 -18.282 18.552 -9.675 372 HB3 GLU 45 3HB GLU 45 -18.369 17.864 -8.060 373 HG2 GLU 45 2HG GLU 45 -19.148 15.865 -9.919 374 HG3 GLU 45 3HG GLU 45 -17.648 16.598 -10.483 375 H THR 46 H THR 46 -21.604 17.822 -6.945 376 HA THR 46 HA THR 46 -22.614 20.309 -6.538 377 HB THR 46 HB THR 46 -21.955 19.682 -3.966 378 HG1 THR 46 HG1 THR 46 -22.299 17.249 -4.101 379 HG21 THR 46 3HG2 THR 46 -24.210 20.025 -4.668 380 HG22 THR 46 1HG2 THR 46 -24.131 18.418 -3.947 381 HG23 THR 46 2HG2 THR 46 -24.170 18.596 -5.701 382 H GLU 47 H GLU 47 -21.988 22.183 -5.406 383 HA GLU 47 HA GLU 47 -19.407 23.119 -5.932 384 HB2 GLU 47 2HB GLU 47 -21.064 24.762 -5.685 385 HB3 GLU 47 3HB GLU 47 -21.625 24.097 -4.158 386 HG2 GLU 47 2HG GLU 47 -19.605 24.856 -3.055 387 HG3 GLU 47 3HG GLU 47 -18.979 25.467 -4.586 388 H ASP 48 H ASP 48 -20.647 21.288 -3.290 389 HA ASP 48 HA ASP 48 -18.316 21.861 -1.622 390 HB2 ASP 48 2HB ASP 48 -21.023 20.795 -1.158 391 HB3 ASP 48 3HB ASP 48 -19.751 20.004 -0.229 392 H ASP 49 H ASP 49 -18.991 19.877 -4.119 393 HA ASP 49 HA ASP 49 -17.239 17.744 -3.084 394 HB2 ASP 49 2HB ASP 49 -19.512 17.530 -5.067 395 HB3 ASP 49 3HB ASP 49 -18.369 16.232 -4.732 396 H ILE 50 H ILE 50 -17.495 20.285 -5.210 397 HA ILE 50 HA ILE 50 -15.741 19.095 -7.228 398 HB ILE 50 HB ILE 50 -17.666 20.398 -8.031 399 HG12 ILE 50 2HG1 ILE 50 -15.823 22.267 -9.062 400 HG13 ILE 50 3HG1 ILE 50 -14.903 20.801 -8.742 401 HG21 ILE 50 1HG2 ILE 50 -16.548 23.008 -7.354 402 HG22 ILE 50 2HG2 ILE 50 -18.213 22.435 -7.286 403 HG23 ILE 50 3HG2 ILE 50 -17.109 22.093 -5.955 404 HD11 ILE 50 3HD1 ILE 50 -15.833 19.717 -10.450 405 HD12 ILE 50 1HD1 ILE 50 -17.449 20.316 -10.077 406 HD13 ILE 50 2HD1 ILE 50 -16.329 21.316 -11.004 407 H ARG 51 H ARG 51 -15.794 21.538 -4.715 408 HA ARG 51 HA ARG 51 -13.217 22.617 -5.390 409 HB2 ARG 51 2HB ARG 51 -13.599 24.174 -3.759 410 HB3 ARG 51 3HB ARG 51 -15.258 23.673 -4.060 411 HG2 ARG 51 2HG ARG 51 -13.530 22.511 -1.889 412 HG3 ARG 51 3HG ARG 51 -14.637 23.865 -1.654 413 HD2 ARG 51 2HD ARG 51 -16.525 22.521 -2.157 414 HD3 ARG 51 3HD ARG 51 -15.514 21.207 -2.756 415 HE ARG 51 HE ARG 51 -15.329 20.455 -0.614 416 HH11 ARG 51 1HH1 ARG 51 -16.226 23.818 -0.533 417 HH12 ARG 51 2HH1 ARG 51 -16.413 23.861 1.189 418 HH21 ARG 51 1HH2 ARG 51 -15.572 20.499 1.653 419 HH22 ARG 51 2HH2 ARG 51 -16.040 21.973 2.432 420 H THR 52 H THR 52 -14.353 19.922 -3.635 421 HA THR 52 HA THR 52 -11.978 19.694 -1.975 422 HB THR 52 HB THR 52 -14.121 19.014 -1.015 423 HG1 THR 52 HG1 THR 52 -12.477 16.730 -1.466 424 HG21 THR 52 3HG2 THR 52 -14.326 16.542 -2.595 425 HG22 THR 52 1HG2 THR 52 -14.725 18.019 -3.472 426 HG23 THR 52 2HG2 THR 52 -15.592 17.611 -1.991 427 H LYS 53 H LYS 53 -13.263 18.418 -4.947 428 HA LYS 53 HA LYS 53 -11.063 16.482 -5.122 429 HB2 LYS 53 2HB LYS 53 -13.490 16.761 -6.903 430 HB3 LYS 53 3HB LYS 53 -12.307 15.461 -6.949 431 HG2 LYS 53 2HG LYS 53 -13.072 14.522 -4.970 432 HG3 LYS 53 3HG LYS 53 -13.868 16.012 -4.458 433 HD2 LYS 53 2HD LYS 53 -15.715 14.896 -5.154 434 HD3 LYS 53 3HD LYS 53 -15.227 15.551 -6.719 435 HE2 LYS 53 2HE LYS 53 -14.478 13.529 -7.484 436 HE3 LYS 53 3HE LYS 53 -14.078 12.944 -5.870 437 HZ1 LYS 53 3HZ LYS 53 -16.828 13.243 -6.952 438 HZ2 LYS 53 1HZ LYS 53 -16.423 12.643 -5.422 439 HZ3 LYS 53 2HZ LYS 53 -15.985 11.783 -6.811 440 H TYR 54 H TYR 54 -12.416 19.335 -6.629 441 HA TYR 54 HA TYR 54 -10.013 19.506 -8.318 442 HB2 TYR 54 2HB TYR 54 -12.694 20.538 -9.220 443 HB3 TYR 54 3HB TYR 54 -11.248 20.259 -10.184 444 HD1 TYR 54 HD2 TYR 54 -10.436 17.748 -10.251 445 HD2 TYR 54 HD1 TYR 54 -14.397 18.976 -9.301 446 HE1 TYR 54 HE2 TYR 54 -11.268 15.516 -10.862 447 HE2 TYR 54 HE1 TYR 54 -15.240 16.747 -9.908 448 HH TYR 54 HH TYR 54 -13.032 14.172 -10.960 449 H GLY 55 H GLY 55 -10.513 20.661 -5.717 450 HA2 GLY 55 2HA GLY 55 -11.375 23.285 -5.693 451 HA3 GLY 55 3HA GLY 55 -10.101 22.658 -4.659 452 H ASP 56 H ASP 56 -8.552 21.987 -7.192 453 HA ASP 56 HA ASP 56 -6.897 24.247 -7.217 454 HB2 ASP 56 2HB ASP 56 -6.857 21.662 -8.335 455 HB3 ASP 56 3HB ASP 56 -6.677 22.777 -9.687 456 H LEU 57 H LEU 57 -9.198 23.119 -9.695 457 HA LEU 57 HA LEU 57 -8.948 25.592 -11.167 458 HB2 LEU 57 2HB LEU 57 -10.982 24.420 -12.395 459 HB3 LEU 57 3HB LEU 57 -9.308 23.946 -12.678 460 HG LEU 57 HG LEU 57 -10.769 22.492 -10.550 461 HD11 LEU 57 1HD1 LEU 57 -11.266 21.196 -13.046 462 HD12 LEU 57 2HD1 LEU 57 -11.953 22.819 -13.083 463 HD13 LEU 57 3HD1 LEU 57 -12.413 21.696 -11.803 464 HD21 LEU 57 3HD2 LEU 57 -8.402 22.059 -11.205 465 HD22 LEU 57 1HD2 LEU 57 -8.986 21.542 -12.787 466 HD23 LEU 57 2HD2 LEU 57 -9.457 20.652 -11.339 467 H VAL 58 H VAL 58 -11.209 24.105 -8.944 468 HA VAL 58 HA VAL 58 -13.460 25.673 -9.336 469 HB VAL 58 HB VAL 58 -12.395 24.587 -6.726 470 HG11 VAL 58 1HG1 VAL 58 -14.913 25.987 -7.448 471 HG12 VAL 58 2HG1 VAL 58 -15.008 24.645 -6.307 472 HG13 VAL 58 3HG1 VAL 58 -13.980 26.035 -5.952 473 HG21 VAL 58 3HG2 VAL 58 -13.444 23.293 -9.020 474 HG22 VAL 58 1HG2 VAL 58 -13.001 22.585 -7.467 475 HG23 VAL 58 2HG2 VAL 58 -14.644 23.167 -7.734 476 H ASP 59 H ASP 59 -10.562 26.349 -7.431 477 HA ASP 59 HA ASP 59 -11.583 28.869 -6.471 478 HB2 ASP 59 2HB ASP 59 -8.816 27.653 -6.324 479 HB3 ASP 59 3HB ASP 59 -9.303 29.142 -5.518 480 H ASP 60 H ASP 60 -10.757 28.001 -9.435 481 HA ASP 60 HA ASP 60 -9.413 30.552 -10.047 482 HB2 ASP 60 2HB ASP 60 -9.086 27.809 -11.171 483 HB3 ASP 60 3HB ASP 60 -8.882 29.178 -12.260 484 H PHE 61 H PHE 61 -12.197 28.637 -10.488 485 HA PHE 61 HA PHE 61 -13.052 30.175 -12.831 486 HB2 PHE 61 2HB PHE 61 -13.347 27.786 -13.051 487 HB3 PHE 61 3HB PHE 61 -14.215 27.711 -11.521 488 HD1 PHE 61 HD1 PHE 61 -14.392 28.899 -15.006 489 HD2 PHE 61 HD2 PHE 61 -16.529 28.170 -11.398 490 HE1 PHE 61 HE1 PHE 61 -16.517 29.223 -16.203 491 HE2 PHE 61 HE2 PHE 61 -18.657 28.492 -12.589 492 HZ PHE 61 HZ PHE 61 -18.654 29.018 -14.995 493 H GLU 62 H GLU 62 -14.429 29.094 -9.721 494 HA GLU 62 HA GLU 62 -16.566 30.959 -9.781 495 HB2 GLU 62 2HB GLU 62 -17.131 30.173 -7.634 496 HB3 GLU 62 3HB GLU 62 -16.431 28.785 -8.454 497 HG2 GLU 62 2HG GLU 62 -15.327 28.601 -6.497 498 HG3 GLU 62 3HG GLU 62 -14.224 29.713 -7.306 499 H LYS 63 H LYS 63 -13.316 31.031 -8.478 500 HA LYS 63 HA LYS 63 -13.645 33.362 -6.885 501 HB2 LYS 63 2HB LYS 63 -11.170 32.096 -8.071 502 HB3 LYS 63 3HB LYS 63 -11.145 33.429 -6.924 503 HG2 LYS 63 2HG LYS 63 -12.338 30.717 -6.385 504 HG3 LYS 63 3HG LYS 63 -10.731 31.241 -5.876 505 HD2 LYS 63 2HD LYS 63 -11.977 33.203 -4.750 506 HD3 LYS 63 3HD LYS 63 -13.416 32.198 -4.941 507 HE2 LYS 63 2HE LYS 63 -10.902 31.539 -3.417 508 HE3 LYS 63 3HE LYS 63 -12.516 31.805 -2.760 509 HZ1 LYS 63 3HZ LYS 63 -11.372 29.424 -3.858 510 HZ2 LYS 63 1HZ LYS 63 -12.862 29.797 -4.565 511 HZ3 LYS 63 2HZ LYS 63 -12.745 29.611 -2.888 512 H ASN 64 H ASN 64 -13.558 32.908 -10.215 513 HA ASN 64 HA ASN 64 -12.501 35.586 -10.751 514 HB2 ASN 64 2HB ASN 64 -13.064 33.194 -12.489 515 HB3 ASN 64 3HB ASN 64 -12.817 34.791 -13.190 516 HD21 ASN 64 1HD2 ASN 64 -11.262 33.253 -10.414 517 HD22 ASN 64 2HD2 ASN 64 -9.658 33.322 -11.052 518 H GLN 65 H GLN 65 -15.393 33.607 -11.267 519 HA GLN 65 HA GLN 65 -16.857 35.826 -12.401 520 HB2 GLN 65 2HB GLN 65 -18.641 34.297 -12.731 521 HB3 GLN 65 3HB GLN 65 -17.164 33.409 -13.082 522 HG2 GLN 65 2HG GLN 65 -18.120 31.850 -11.785 523 HG3 GLN 65 3HG GLN 65 -17.435 32.819 -10.482 524 HE21 GLN 65 1HE2 GLN 65 -20.350 32.411 -12.433 525 HE22 GLN 65 2HE2 GLN 65 -21.460 32.881 -11.196 526 H LYS 66 H LYS 66 -16.001 34.974 -9.331 527 HA LYS 66 HA LYS 66 -18.327 35.280 -7.816 528 HB2 LYS 66 2HB LYS 66 -16.780 35.965 -5.974 529 HB3 LYS 66 3HB LYS 66 -16.323 34.469 -6.776 530 HG2 LYS 66 2HG LYS 66 -14.301 35.537 -6.599 531 HG3 LYS 66 3HG LYS 66 -14.812 36.021 -8.218 532 HD2 LYS 66 2HD LYS 66 -14.926 38.179 -7.643 533 HD3 LYS 66 3HD LYS 66 -15.792 37.816 -6.148 534 HE2 LYS 66 2HE LYS 66 -13.770 37.397 -4.979 535 HE3 LYS 66 3HE LYS 66 -12.830 37.391 -6.470 536 HZ1 LYS 66 3HZ LYS 66 -12.415 39.468 -5.574 537 HZ2 LYS 66 1HZ LYS 66 -14.005 39.686 -5.038 538 HZ3 LYS 66 2HZ LYS 66 -13.646 39.798 -6.687 539 H LYS 67 H LYS 67 -16.348 37.624 -9.442 540 HA LYS 67 HA LYS 67 -18.309 39.668 -9.066 541 HB2 LYS 67 2HB LYS 67 -16.796 39.601 -6.930 542 HB3 LYS 67 3HB LYS 67 -15.620 40.401 -7.964 543 HG2 LYS 67 2HG LYS 67 -17.711 41.968 -8.458 544 HG3 LYS 67 3HG LYS 67 -18.167 41.409 -6.846 545 HD2 LYS 67 2HD LYS 67 -15.880 42.090 -6.068 546 HD3 LYS 67 3HD LYS 67 -15.634 42.832 -7.651 547 HE2 LYS 67 2HE LYS 67 -17.958 43.517 -5.867 548 HE3 LYS 67 3HE LYS 67 -16.415 44.368 -5.794 549 HZ1 LYS 67 3HZ LYS 67 -18.483 44.444 -7.848 550 HZ2 LYS 67 1HZ LYS 67 -16.879 44.528 -8.381 551 HZ3 LYS 67 2HZ LYS 67 -17.467 45.676 -7.287 Start of MODEL 20 1 H1 MET 1 H MET 1 3.303 9.124 -29.499 2 HA MET 1 HA MET 1 5.857 7.938 -29.490 3 HB2 MET 1 2HB MET 1 5.737 10.351 -30.950 4 HB3 MET 1 3HB MET 1 6.537 10.730 -29.430 5 HG2 MET 1 2HG MET 1 8.412 9.770 -30.100 6 HG3 MET 1 3HG MET 1 7.566 8.280 -30.513 7 HE1 MET 1 3HE MET 1 8.640 7.468 -32.196 8 HE2 MET 1 1HE MET 1 7.406 7.600 -33.449 9 HE3 MET 1 2HE MET 1 9.046 8.165 -33.765 10 H HIS 2 H HIS 2 7.102 8.491 -27.566 11 HA HIS 2 HA HIS 2 7.266 8.822 -25.321 12 HB2 HIS 2 2HB HIS 2 5.551 11.177 -26.099 13 HB3 HIS 2 3HB HIS 2 6.107 10.925 -24.447 14 HD1 HIS 2 HD1 HIS 2 7.080 13.438 -25.558 15 HD2 HIS 2 HD2 HIS 2 9.060 9.864 -26.314 16 HE1 HIS 2 HE1 HIS 2 9.425 14.089 -26.191 17 H HIS 3 H HIS 3 6.300 6.997 -24.525 18 HA HIS 3 HA HIS 3 3.569 7.348 -23.517 19 HB2 HIS 3 2HB HIS 3 4.590 5.073 -25.193 20 HB3 HIS 3 3HB HIS 3 3.272 4.824 -24.051 21 HD1 HIS 3 HD1 HIS 3 4.088 7.138 -26.960 22 HD2 HIS 3 HD2 HIS 3 0.835 5.338 -25.106 23 HE1 HIS 3 HE1 HIS 3 2.094 7.734 -28.373 24 H HIS 4 H HIS 4 5.209 7.855 -21.707 25 HA HIS 4 HA HIS 4 6.009 5.377 -20.339 26 HB2 HIS 4 2HB HIS 4 7.053 8.181 -20.282 27 HB3 HIS 4 3HB HIS 4 7.273 7.157 -18.866 28 HD1 HIS 4 HD1 HIS 4 8.111 7.208 -22.561 29 HD2 HIS 4 HD2 HIS 4 9.378 5.430 -19.027 30 HE1 HIS 4 HE1 HIS 4 10.222 5.974 -23.149 31 H HIS 5 H HIS 5 4.682 8.604 -19.596 32 HA HIS 5 HA HIS 5 3.355 7.443 -17.247 33 HB2 HIS 5 2HB HIS 5 3.026 9.844 -16.571 34 HB3 HIS 5 3HB HIS 5 4.708 9.330 -16.662 35 HD1 HIS 5 HD1 HIS 5 2.190 11.493 -18.414 36 HD2 HIS 5 HD2 HIS 5 6.254 10.641 -18.560 37 HE1 HIS 5 HE1 HIS 5 3.187 13.231 -19.934 38 H HIS 6 H HIS 6 1.153 7.688 -16.904 39 HA HIS 6 HA HIS 6 -0.512 9.137 -18.735 40 HB2 HIS 6 2HB HIS 6 0.183 6.711 -19.691 41 HB3 HIS 6 3HB HIS 6 -1.227 6.262 -18.735 42 HD1 HIS 6 HD1 HIS 6 -3.058 5.972 -20.376 43 HD2 HIS 6 HD2 HIS 6 -0.823 9.392 -21.133 44 HE1 HIS 6 HE1 HIS 6 -4.227 7.132 -22.277 45 H HIS 7 H HIS 7 -0.477 6.470 -16.381 46 HA HIS 7 HA HIS 7 -3.077 6.863 -15.400 47 HB2 HIS 7 2HB HIS 7 -0.703 5.341 -14.613 48 HB3 HIS 7 3HB HIS 7 -1.685 5.854 -13.245 49 HD1 HIS 7 HD1 HIS 7 -4.253 5.069 -13.330 50 HD2 HIS 7 HD2 HIS 7 -1.668 3.182 -15.979 51 HE1 HIS 7 HE1 HIS 7 -5.457 2.992 -14.079 52 H GLU 8 H GLU 8 -0.154 7.514 -13.483 53 HA GLU 8 HA GLU 8 0.371 9.174 -12.017 54 HB2 GLU 8 2HB GLU 8 -0.829 10.469 -14.234 55 HB3 GLU 8 3HB GLU 8 -1.459 11.240 -12.786 56 HG2 GLU 8 2HG GLU 8 0.528 12.373 -13.607 57 HG3 GLU 8 3HG GLU 8 0.798 11.679 -12.010 58 H VAL 9 H VAL 9 -0.770 10.862 -10.460 59 HA VAL 9 HA VAL 9 -2.035 11.030 -8.568 60 HB VAL 9 HB VAL 9 -4.226 10.119 -10.438 61 HG11 VAL 9 1HG1 VAL 9 -4.206 10.904 -7.630 62 HG12 VAL 9 2HG1 VAL 9 -5.335 11.841 -8.611 63 HG13 VAL 9 3HG1 VAL 9 -5.451 10.081 -8.568 64 HG21 VAL 9 3HG2 VAL 9 -4.116 12.946 -9.804 65 HG22 VAL 9 1HG2 VAL 9 -2.646 12.388 -10.604 66 HG23 VAL 9 2HG2 VAL 9 -4.215 12.145 -11.372 67 HA PRO 10 HA PRO 10 -1.804 6.476 -7.721 68 HB2 PRO 10 2HB PRO 10 -0.205 6.732 -5.542 69 HB3 PRO 10 3HB PRO 10 0.426 6.626 -7.189 70 HG2 PRO 10 2HG PRO 10 -0.009 9.044 -5.480 71 HG3 PRO 10 3HG PRO 10 1.368 8.645 -6.523 72 HD2 PRO 10 2HD PRO 10 -0.584 10.364 -7.279 73 HD3 PRO 10 3HD PRO 10 0.277 9.328 -8.436 74 H GLN 11 H GLN 11 -4.124 7.070 -7.222 75 HA GLN 11 HA GLN 11 -4.776 6.324 -4.609 76 HB2 GLN 11 2HB GLN 11 -5.845 8.477 -3.857 77 HB3 GLN 11 3HB GLN 11 -4.086 8.473 -3.848 78 HG2 GLN 11 2HG GLN 11 -4.848 9.403 -6.380 79 HG3 GLN 11 3HG GLN 11 -5.893 10.218 -5.218 80 HE21 GLN 11 1HE2 GLN 11 -2.613 9.711 -6.266 81 HE22 GLN 11 2HE2 GLN 11 -1.922 11.045 -5.415 82 H THR 12 H THR 12 -5.747 8.026 -7.522 83 HA THR 12 HA THR 12 -7.969 6.345 -7.967 84 HB THR 12 HB THR 12 -9.396 8.755 -7.803 85 HG1 THR 12 HG1 THR 12 -8.280 9.747 -6.267 86 HG21 THR 12 3HG2 THR 12 -9.630 6.727 -5.638 87 HG22 THR 12 1HG2 THR 12 -9.910 6.205 -7.298 88 HG23 THR 12 2HG2 THR 12 -10.888 7.498 -6.603 89 H PHE 13 H PHE 13 -7.760 9.849 -8.500 90 HA PHE 13 HA PHE 13 -6.615 9.755 -11.057 91 HB2 PHE 13 2HB PHE 13 -8.650 10.234 -12.425 92 HB3 PHE 13 3HB PHE 13 -8.604 8.597 -11.779 93 HD1 PHE 13 HD2 PHE 13 -10.137 11.928 -11.377 94 HD2 PHE 13 HD1 PHE 13 -10.280 7.808 -10.318 95 HE1 PHE 13 HE2 PHE 13 -12.360 12.266 -10.378 96 HE2 PHE 13 HE1 PHE 13 -12.504 8.139 -9.319 97 HZ PHE 13 HZ PHE 13 -13.546 10.370 -9.347 98 H GLU 14 H GLU 14 -7.573 11.860 -12.358 99 HA GLU 14 HA GLU 14 -7.927 14.039 -10.435 100 HB2 GLU 14 2HB GLU 14 -6.190 15.378 -11.599 101 HB3 GLU 14 3HB GLU 14 -5.540 13.969 -10.774 102 HG2 GLU 14 2HG GLU 14 -5.453 12.767 -12.903 103 HG3 GLU 14 3HG GLU 14 -6.087 14.192 -13.726 104 H VAL 15 H VAL 15 -8.482 16.114 -11.532 105 HA VAL 15 HA VAL 15 -10.035 15.591 -13.984 106 HB VAL 15 HB VAL 15 -10.661 17.667 -11.884 107 HG11 VAL 15 1HG1 VAL 15 -11.784 16.949 -14.509 108 HG12 VAL 15 2HG1 VAL 15 -12.962 17.216 -13.222 109 HG13 VAL 15 3HG1 VAL 15 -11.810 18.485 -13.642 110 HG21 VAL 15 3HG2 VAL 15 -10.992 15.568 -10.830 111 HG22 VAL 15 1HG2 VAL 15 -12.584 16.126 -11.344 112 HG23 VAL 15 2HG2 VAL 15 -11.743 14.884 -12.272 113 H GLU 16 H GLU 16 -10.171 17.265 -15.542 114 HA GLU 16 HA GLU 16 -7.749 18.682 -15.940 115 HB2 GLU 16 2HB GLU 16 -10.101 18.068 -17.451 116 HB3 GLU 16 3HB GLU 16 -9.775 19.790 -17.589 117 HG2 GLU 16 2HG GLU 16 -7.483 17.954 -17.938 118 HG3 GLU 16 3HG GLU 16 -8.701 17.981 -19.212 119 H ARG 17 H ARG 17 -11.023 20.084 -15.823 120 HA ARG 17 HA ARG 17 -10.491 21.913 -13.754 121 HB2 ARG 17 2HB ARG 17 -9.858 23.858 -14.783 122 HB3 ARG 17 3HB ARG 17 -9.058 22.701 -15.838 123 HG2 ARG 17 2HG ARG 17 -11.703 24.047 -16.350 124 HG3 ARG 17 3HG ARG 17 -10.166 24.414 -17.136 125 HD2 ARG 17 2HD ARG 17 -10.417 21.712 -17.535 126 HD3 ARG 17 3HD ARG 17 -12.084 22.274 -17.658 127 HE ARG 17 HE ARG 17 -10.030 22.648 -19.571 128 HH11 ARG 17 1HH1 ARG 17 -12.771 24.243 -18.134 129 HH12 ARG 17 2HH1 ARG 17 -13.089 25.231 -19.522 130 HH21 ARG 17 1HH2 ARG 17 -10.439 23.943 -21.404 131 HH22 ARG 17 2HH2 ARG 17 -11.762 25.058 -21.382 132 H ILE 18 H ILE 18 -12.208 23.596 -13.581 133 HA ILE 18 HA ILE 18 -14.751 22.459 -13.962 134 HB ILE 18 HB ILE 18 -14.130 25.368 -13.443 135 HG12 ILE 18 2HG1 ILE 18 -13.039 23.784 -11.837 136 HG13 ILE 18 3HG1 ILE 18 -14.216 24.859 -11.091 137 HG21 ILE 18 1HG2 ILE 18 -16.577 23.913 -13.766 138 HG22 ILE 18 2HG2 ILE 18 -16.464 24.538 -12.121 139 HG23 ILE 18 3HG2 ILE 18 -16.333 25.638 -13.493 140 HD11 ILE 18 3HD1 ILE 18 -15.453 23.158 -10.387 141 HD12 ILE 18 1HD1 ILE 18 -15.402 22.363 -11.960 142 HD13 ILE 18 2HD1 ILE 18 -14.086 22.127 -10.809 143 H VAL 19 H VAL 19 -16.326 22.757 -15.463 144 HA VAL 19 HA VAL 19 -15.531 24.152 -17.919 145 HB VAL 19 HB VAL 19 -17.835 22.235 -17.551 146 HG11 VAL 19 1HG1 VAL 19 -17.773 22.075 -19.982 147 HG12 VAL 19 2HG1 VAL 19 -18.024 23.745 -19.471 148 HG13 VAL 19 3HG1 VAL 19 -16.436 23.222 -20.035 149 HG21 VAL 19 3HG2 VAL 19 -16.273 20.641 -18.780 150 HG22 VAL 19 1HG2 VAL 19 -14.974 21.745 -18.327 151 HG23 VAL 19 2HG2 VAL 19 -15.926 20.944 -17.078 152 H ARG 20 H ARG 20 -18.560 23.595 -16.109 153 HA ARG 20 HA ARG 20 -19.234 26.423 -16.497 154 HB2 ARG 20 2HB ARG 20 -21.234 24.202 -16.921 155 HB3 ARG 20 3HB ARG 20 -21.466 25.921 -17.209 156 HG2 ARG 20 2HG ARG 20 -20.866 25.613 -19.314 157 HG3 ARG 20 3HG ARG 20 -19.256 25.144 -18.763 158 HD2 ARG 20 2HD ARG 20 -19.912 22.839 -18.631 159 HD3 ARG 20 3HD ARG 20 -21.592 23.252 -18.970 160 HE ARG 20 HE ARG 20 -19.502 22.880 -20.873 161 HH11 ARG 20 1HH1 ARG 20 -22.435 24.646 -20.243 162 HH12 ARG 20 2HH1 ARG 20 -22.807 24.882 -21.919 163 HH21 ARG 20 1HH2 ARG 20 -19.982 23.183 -23.083 164 HH22 ARG 20 2HH2 ARG 20 -21.412 24.048 -23.533 165 H LYS 21 H LYS 21 -21.614 26.599 -15.294 166 HA LYS 21 HA LYS 21 -21.791 25.113 -12.860 167 HB2 LYS 21 2HB LYS 21 -21.124 26.723 -11.284 168 HB3 LYS 21 3HB LYS 21 -19.853 26.748 -12.499 169 HG2 LYS 21 2HG LYS 21 -20.501 28.806 -13.326 170 HG3 LYS 21 3HG LYS 21 -22.138 28.663 -12.682 171 HD2 LYS 21 2HD LYS 21 -20.657 28.570 -10.403 172 HD3 LYS 21 3HD LYS 21 -19.682 29.647 -11.406 173 HE2 LYS 21 2HE LYS 21 -22.037 30.749 -11.881 174 HE3 LYS 21 3HE LYS 21 -22.433 30.011 -10.330 175 HZ1 LYS 21 3HZ LYS 21 -19.923 31.401 -10.310 176 HZ2 LYS 21 1HZ LYS 21 -21.228 31.514 -9.240 177 HZ3 LYS 21 2HZ LYS 21 -21.228 32.415 -10.671 178 H LYS 22 H LYS 22 -23.694 25.545 -11.706 179 HA LYS 22 HA LYS 22 -25.398 27.740 -12.244 180 HB2 LYS 22 2HB LYS 22 -27.105 26.752 -13.561 181 HB3 LYS 22 3HB LYS 22 -25.592 26.401 -14.386 182 HG2 LYS 22 2HG LYS 22 -26.240 24.282 -14.438 183 HG3 LYS 22 3HG LYS 22 -25.957 24.237 -12.696 184 HD2 LYS 22 2HD LYS 22 -28.121 23.753 -12.466 185 HD3 LYS 22 3HD LYS 22 -28.460 25.414 -12.960 186 HE2 LYS 22 2HE LYS 22 -28.386 24.575 -15.346 187 HE3 LYS 22 3HE LYS 22 -28.378 22.944 -14.678 188 HZ1 LYS 22 3HZ LYS 22 -30.480 24.967 -14.129 189 HZ2 LYS 22 1HZ LYS 22 -30.487 23.344 -13.651 190 HZ3 LYS 22 2HZ LYS 22 -30.612 23.743 -15.290 191 H ILE 23 H ILE 23 -27.144 27.819 -10.843 192 HA ILE 23 HA ILE 23 -27.208 25.674 -8.830 193 HB ILE 23 HB ILE 23 -27.775 27.217 -7.189 194 HG12 ILE 23 2HG1 ILE 23 -28.269 29.701 -8.128 195 HG13 ILE 23 3HG1 ILE 23 -28.902 28.746 -9.464 196 HG21 ILE 23 1HG2 ILE 23 -25.485 27.566 -8.484 197 HG22 ILE 23 2HG2 ILE 23 -26.191 29.154 -8.780 198 HG23 ILE 23 3HG2 ILE 23 -25.959 28.587 -7.126 199 HD11 ILE 23 3HD1 ILE 23 -30.753 28.338 -8.334 200 HD12 ILE 23 1HD1 ILE 23 -29.830 27.651 -6.997 201 HD13 ILE 23 2HD1 ILE 23 -30.161 29.383 -7.043 202 H VAL 24 H VAL 24 -29.206 24.953 -8.010 203 HA VAL 24 HA VAL 24 -31.598 25.747 -9.515 204 HB VAL 24 HB VAL 24 -31.396 22.870 -8.872 205 HG11 VAL 24 1HG1 VAL 24 -33.135 24.435 -10.257 206 HG12 VAL 24 2HG1 VAL 24 -32.147 23.770 -11.560 207 HG13 VAL 24 3HG1 VAL 24 -32.986 22.688 -10.446 208 HG21 VAL 24 3HG2 VAL 24 -29.164 23.196 -9.709 209 HG22 VAL 24 1HG2 VAL 24 -30.128 22.407 -10.957 210 HG23 VAL 24 2HG2 VAL 24 -29.769 24.130 -11.077 211 H HIS 25 H HIS 25 -33.183 26.275 -8.174 212 HA HIS 25 HA HIS 25 -34.449 26.487 -6.294 213 HB2 HIS 25 2HB HIS 25 -34.359 23.814 -6.894 214 HB3 HIS 25 3HB HIS 25 -33.829 23.824 -5.215 215 HD1 HIS 25 HD1 HIS 25 -36.788 24.629 -7.376 216 HD2 HIS 25 HD2 HIS 25 -35.797 24.423 -3.346 217 HE1 HIS 25 HE1 HIS 25 -38.971 24.788 -6.138 218 H GLY 26 H GLY 26 -31.507 27.015 -6.189 219 HA2 GLY 26 2HA GLY 26 -30.398 28.118 -4.408 220 HA3 GLY 26 3HA GLY 26 -31.334 27.164 -3.268 221 H ASN 27 H ASN 27 -30.229 25.160 -5.682 222 HA ASN 27 HA ASN 27 -27.979 24.294 -3.997 223 HB2 ASN 27 2HB ASN 27 -29.667 22.739 -5.967 224 HB3 ASN 27 3HB ASN 27 -28.268 22.083 -5.122 225 HD21 ASN 27 1HD2 ASN 27 -29.402 20.532 -4.025 226 HD22 ASN 27 2HD2 ASN 27 -30.524 20.898 -2.764 227 H THR 28 H THR 28 -26.149 25.156 -4.760 228 HA THR 28 HA THR 28 -25.703 25.839 -7.474 229 HB THR 28 HB THR 28 -23.460 25.362 -5.535 230 HG1 THR 28 HG1 THR 28 -24.398 26.729 -4.225 231 HG21 THR 28 3HG2 THR 28 -23.820 27.681 -7.402 232 HG22 THR 28 1HG2 THR 28 -23.215 26.134 -7.993 233 HG23 THR 28 2HG2 THR 28 -22.330 27.007 -6.741 234 H SER 29 H SER 29 -24.402 24.868 -9.032 235 HA SER 29 HA SER 29 -23.375 22.185 -8.488 236 HB2 SER 29 2HB SER 29 -25.209 22.772 -10.824 237 HB3 SER 29 3HB SER 29 -24.474 21.219 -10.428 238 HG SER 29 HG SER 29 -25.749 21.084 -8.622 239 H TYR 30 H TYR 30 -21.439 21.883 -9.379 240 HA TYR 30 HA TYR 30 -20.518 23.838 -11.370 241 HB2 TYR 30 2HB TYR 30 -19.118 22.228 -9.263 242 HB3 TYR 30 3HB TYR 30 -18.218 22.814 -10.658 243 HD1 TYR 30 HD2 TYR 30 -20.815 24.280 -8.394 244 HD2 TYR 30 HD1 TYR 30 -16.967 24.679 -10.164 245 HE1 TYR 30 HE2 TYR 30 -20.541 26.462 -7.293 246 HE2 TYR 30 HE1 TYR 30 -16.682 26.862 -9.067 247 HH TYR 30 HH TYR 30 -18.980 28.670 -7.945 248 H LEU 31 H LEU 31 -20.299 23.199 -13.401 249 HA LEU 31 HA LEU 31 -20.417 20.367 -14.046 250 HB2 LEU 31 2HB LEU 31 -21.823 21.918 -15.285 251 HB3 LEU 31 3HB LEU 31 -20.399 22.814 -15.808 252 HG LEU 31 HG LEU 31 -19.867 21.298 -17.421 253 HD11 LEU 31 1HD1 LEU 31 -20.767 18.878 -17.266 254 HD12 LEU 31 2HD1 LEU 31 -21.040 19.265 -15.567 255 HD13 LEU 31 3HD1 LEU 31 -19.414 19.359 -16.243 256 HD21 LEU 31 3HD2 LEU 31 -22.565 20.213 -17.548 257 HD22 LEU 31 1HD2 LEU 31 -21.706 21.253 -18.684 258 HD23 LEU 31 2HD2 LEU 31 -22.535 21.959 -17.297 259 H VAL 32 H VAL 32 -18.531 19.324 -13.876 260 HA VAL 32 HA VAL 32 -16.145 20.577 -15.073 261 HB VAL 32 HB VAL 32 -16.087 20.114 -12.575 262 HG11 VAL 32 1HG1 VAL 32 -15.675 17.835 -11.861 263 HG12 VAL 32 2HG1 VAL 32 -17.240 17.940 -12.671 264 HG13 VAL 32 3HG1 VAL 32 -15.850 17.259 -13.518 265 HG21 VAL 32 3HG2 VAL 32 -14.001 18.753 -14.278 266 HG22 VAL 32 1HG2 VAL 32 -14.081 20.484 -13.949 267 HG23 VAL 32 2HG2 VAL 32 -13.783 19.349 -12.632 268 H LYS 33 H LYS 33 -14.624 19.133 -16.114 269 HA LYS 33 HA LYS 33 -16.001 16.904 -17.438 270 HB2 LYS 33 2HB LYS 33 -14.012 17.113 -19.051 271 HB3 LYS 33 3HB LYS 33 -15.223 18.387 -19.076 272 HG2 LYS 33 2HG LYS 33 -13.787 19.805 -17.722 273 HG3 LYS 33 3HG LYS 33 -12.579 18.521 -17.639 274 HD2 LYS 33 2HD LYS 33 -11.916 20.102 -19.326 275 HD3 LYS 33 3HD LYS 33 -12.403 18.600 -20.116 276 HE2 LYS 33 2HE LYS 33 -13.766 19.820 -21.383 277 HE3 LYS 33 3HE LYS 33 -14.741 20.096 -19.941 278 HZ1 LYS 33 3HZ LYS 33 -14.150 22.173 -21.019 279 HZ2 LYS 33 1HZ LYS 33 -12.503 21.815 -20.866 280 HZ3 LYS 33 2HZ LYS 33 -13.442 22.081 -19.485 281 H TRP 34 H TRP 34 -13.889 15.456 -18.383 282 HA TRP 34 HA TRP 34 -12.508 14.547 -15.945 283 HB2 TRP 34 2HB TRP 34 -13.508 12.734 -18.146 284 HB3 TRP 34 3HB TRP 34 -12.814 12.255 -16.599 285 HD1 TRP 34 HD1 TRP 34 -14.577 14.244 -14.767 286 HE1 TRP 34 HE1 TRP 34 -17.059 13.683 -14.383 287 HE3 TRP 34 HE3 TRP 34 -15.346 11.174 -18.782 288 HZ2 TRP 34 HZ2 TRP 34 -19.077 12.142 -15.618 289 HZ3 TRP 34 HZ3 TRP 34 -17.581 10.197 -19.109 290 HH2 TRP 34 HH2 TRP 34 -19.406 10.672 -17.558 291 H LYS 35 H LYS 35 -10.660 15.744 -16.565 292 HA LYS 35 HA LYS 35 -8.666 16.121 -17.601 293 HB2 LYS 35 2HB LYS 35 -8.854 13.431 -17.043 294 HB3 LYS 35 3HB LYS 35 -8.418 13.436 -18.747 295 HG2 LYS 35 2HG LYS 35 -6.343 14.229 -18.356 296 HG3 LYS 35 3HG LYS 35 -6.862 15.234 -17.001 297 HD2 LYS 35 2HD LYS 35 -5.503 13.556 -16.056 298 HD3 LYS 35 3HD LYS 35 -7.163 13.069 -15.705 299 HE2 LYS 35 2HE LYS 35 -6.576 11.088 -16.562 300 HE3 LYS 35 3HE LYS 35 -6.700 11.883 -18.130 301 HZ1 LYS 35 3HZ LYS 35 -4.449 12.043 -18.333 302 HZ2 LYS 35 1HZ LYS 35 -4.539 10.617 -17.428 303 HZ3 LYS 35 2HZ LYS 35 -4.170 12.080 -16.665 304 H ASN 36 H ASN 36 -10.990 16.703 -19.152 305 HA ASN 36 HA ASN 36 -11.606 17.263 -21.269 306 HB2 ASN 36 2HB ASN 36 -8.717 17.467 -21.171 307 HB3 ASN 36 3HB ASN 36 -9.264 17.045 -22.791 308 HD21 ASN 36 1HD2 ASN 36 -9.959 19.285 -20.139 309 HD22 ASN 36 2HD2 ASN 36 -10.350 20.631 -21.149 310 H TYR 37 H TYR 37 -11.282 14.350 -20.412 311 HA TYR 37 HA TYR 37 -10.708 12.912 -22.822 312 HB2 TYR 37 2HB TYR 37 -10.328 11.846 -20.678 313 HB3 TYR 37 3HB TYR 37 -12.021 12.045 -20.239 314 HD1 TYR 37 HD1 TYR 37 -13.760 10.696 -21.378 315 HD2 TYR 37 HD2 TYR 37 -9.614 10.040 -22.068 316 HE1 TYR 37 HE1 TYR 37 -14.276 8.495 -22.347 317 HE2 TYR 37 HE2 TYR 37 -10.118 7.838 -23.040 318 HH TYR 37 HH TYR 37 -11.983 6.669 -24.084 319 H SER 38 H SER 38 -13.514 14.357 -21.403 320 HA SER 38 HA SER 38 -15.047 13.917 -23.781 321 HB2 SER 38 2HB SER 38 -15.829 12.481 -21.238 322 HB3 SER 38 3HB SER 38 -16.939 12.754 -22.581 323 HG SER 38 HG SER 38 -15.883 10.698 -22.662 324 H SER 39 H SER 39 -14.654 16.282 -23.331 325 HA SER 39 HA SER 39 -15.768 17.705 -21.242 326 HB2 SER 39 2HB SER 39 -15.937 18.805 -24.026 327 HB3 SER 39 3HB SER 39 -15.465 19.615 -22.532 328 HG SER 39 HG SER 39 -13.875 18.595 -24.337 329 H LYS 40 H LYS 40 -17.338 16.093 -23.859 330 HA LYS 40 HA LYS 40 -19.839 17.510 -23.566 331 HB2 LYS 40 2HB LYS 40 -19.118 15.027 -25.132 332 HB3 LYS 40 3HB LYS 40 -20.684 15.826 -25.193 333 HG2 LYS 40 2HG LYS 40 -19.576 16.610 -27.079 334 HG3 LYS 40 3HG LYS 40 -19.380 17.912 -25.903 335 HD2 LYS 40 2HD LYS 40 -17.152 17.672 -25.850 336 HD3 LYS 40 3HD LYS 40 -17.256 15.912 -25.782 337 HE2 LYS 40 2HE LYS 40 -16.926 15.699 -27.986 338 HE3 LYS 40 3HE LYS 40 -18.030 17.019 -28.368 339 HZ1 LYS 40 3HZ LYS 40 -16.179 18.541 -27.628 340 HZ2 LYS 40 1HZ LYS 40 -15.922 17.713 -29.082 341 HZ3 LYS 40 2HZ LYS 40 -15.160 17.191 -27.665 342 H ASP 41 H ASP 41 -18.403 14.514 -22.464 343 HA ASP 41 HA ASP 41 -20.899 13.561 -21.331 344 HB2 ASP 41 2HB ASP 41 -18.117 12.415 -21.018 345 HB3 ASP 41 3HB ASP 41 -19.639 11.607 -20.651 346 H ASN 42 H ASN 42 -18.977 15.957 -20.455 347 HA ASN 42 HA ASN 42 -18.061 15.609 -17.903 348 HB2 ASN 42 2HB ASN 42 -18.653 18.046 -17.546 349 HB3 ASN 42 3HB ASN 42 -17.691 17.703 -18.980 350 HD21 ASN 42 1HD2 ASN 42 -18.596 19.905 -19.454 351 HD22 ASN 42 2HD2 ASN 42 -20.097 19.965 -20.308 352 H THR 43 H THR 43 -18.995 16.323 -15.823 353 HA THR 43 HA THR 43 -21.890 15.827 -15.644 354 HB THR 43 HB THR 43 -20.886 13.762 -14.952 355 HG1 THR 43 HG1 THR 43 -21.617 13.722 -12.769 356 HG21 THR 43 3HG2 THR 43 -19.266 15.260 -12.901 357 HG22 THR 43 1HG2 THR 43 -18.626 14.808 -14.480 358 HG23 THR 43 2HG2 THR 43 -19.148 13.559 -13.350 359 H TRP 44 H TRP 44 -22.836 16.577 -13.576 360 HA TRP 44 HA TRP 44 -21.589 19.108 -12.787 361 HB2 TRP 44 2HB TRP 44 -24.403 18.138 -12.247 362 HB3 TRP 44 3HB TRP 44 -23.782 19.767 -11.991 363 HD1 TRP 44 HD1 TRP 44 -23.217 21.211 -14.247 364 HE1 TRP 44 HE1 TRP 44 -24.278 21.105 -16.589 365 HE3 TRP 44 HE3 TRP 44 -25.440 16.619 -13.924 366 HZ2 TRP 44 HZ2 TRP 44 -25.850 19.313 -18.100 367 HZ3 TRP 44 HZ3 TRP 44 -26.704 15.782 -15.862 368 HH2 TRP 44 HH2 TRP 44 -26.904 17.103 -17.906 369 H GLU 45 H GLU 45 -21.207 19.658 -10.652 370 HA GLU 45 HA GLU 45 -21.701 17.628 -8.603 371 HB2 GLU 45 2HB GLU 45 -19.026 18.663 -9.466 372 HB3 GLU 45 3HB GLU 45 -19.282 18.215 -7.785 373 HG2 GLU 45 2HG GLU 45 -20.132 16.252 -9.818 374 HG3 GLU 45 3HG GLU 45 -18.398 16.513 -9.640 375 H THR 46 H THR 46 -22.607 18.547 -6.895 376 HA THR 46 HA THR 46 -23.290 21.134 -6.542 377 HB THR 46 HB THR 46 -22.915 20.547 -3.949 378 HG1 THR 46 HG1 THR 46 -23.223 17.966 -5.064 379 HG21 THR 46 3HG2 THR 46 -25.131 19.528 -3.964 380 HG22 THR 46 1HG2 THR 46 -25.005 19.246 -5.700 381 HG23 THR 46 2HG2 THR 46 -25.073 20.895 -5.077 382 H GLU 47 H GLU 47 -22.480 22.956 -5.475 383 HA GLU 47 HA GLU 47 -19.770 23.525 -5.858 384 HB2 GLU 47 2HB GLU 47 -21.197 25.382 -5.793 385 HB3 GLU 47 3HB GLU 47 -21.954 24.865 -4.293 386 HG2 GLU 47 2HG GLU 47 -19.940 25.403 -3.059 387 HG3 GLU 47 3HG GLU 47 -19.123 25.854 -4.554 388 H ASP 48 H ASP 48 -21.382 21.943 -3.274 389 HA ASP 48 HA ASP 48 -19.132 22.323 -1.445 390 HB2 ASP 48 2HB ASP 48 -21.679 22.411 -0.820 391 HB3 ASP 48 3HB ASP 48 -21.534 20.656 -0.791 392 H ASP 49 H ASP 49 -19.941 20.290 -3.904 393 HA ASP 49 HA ASP 49 -18.476 18.035 -2.696 394 HB2 ASP 49 2HB ASP 49 -20.938 17.697 -3.391 395 HB3 ASP 49 3HB ASP 49 -20.336 17.756 -5.046 396 H ILE 50 H ILE 50 -18.403 20.467 -5.012 397 HA ILE 50 HA ILE 50 -16.569 19.017 -6.774 398 HB ILE 50 HB ILE 50 -18.346 20.324 -7.850 399 HG12 ILE 50 2HG1 ILE 50 -16.437 22.013 -8.949 400 HG13 ILE 50 3HG1 ILE 50 -15.486 20.681 -8.302 401 HG21 ILE 50 1HG2 ILE 50 -18.841 22.458 -7.365 402 HG22 ILE 50 2HG2 ILE 50 -17.941 22.152 -5.880 403 HG23 ILE 50 3HG2 ILE 50 -17.146 22.929 -7.248 404 HD11 ILE 50 3HD1 ILE 50 -16.933 19.112 -9.558 405 HD12 ILE 50 1HD1 ILE 50 -17.738 20.502 -10.285 406 HD13 ILE 50 2HD1 ILE 50 -16.023 20.221 -10.584 407 H ARG 51 H ARG 51 -16.696 21.738 -4.551 408 HA ARG 51 HA ARG 51 -13.978 22.541 -5.076 409 HB2 ARG 51 2HB ARG 51 -14.534 24.412 -3.971 410 HB3 ARG 51 3HB ARG 51 -16.179 23.789 -3.986 411 HG2 ARG 51 2HG ARG 51 -14.214 23.217 -1.783 412 HG3 ARG 51 3HG ARG 51 -15.343 24.574 -1.761 413 HD2 ARG 51 2HD ARG 51 -16.900 22.360 -2.409 414 HD3 ARG 51 3HD ARG 51 -15.794 21.780 -1.164 415 HE ARG 51 HE ARG 51 -17.923 23.703 -0.846 416 HH11 ARG 51 1HH1 ARG 51 -14.965 22.414 0.461 417 HH12 ARG 51 2HH1 ARG 51 -15.296 22.942 2.077 418 HH21 ARG 51 1HH2 ARG 51 -18.371 24.403 1.278 419 HH22 ARG 51 2HH2 ARG 51 -17.234 24.073 2.541 420 H THR 52 H THR 52 -15.524 20.223 -3.116 421 HA THR 52 HA THR 52 -13.392 20.098 -1.146 422 HB THR 52 HB THR 52 -15.705 19.692 -0.419 423 HG1 THR 52 HG1 THR 52 -13.705 18.481 0.405 424 HG21 THR 52 3HG2 THR 52 -16.119 18.410 -2.721 425 HG22 THR 52 1HG2 THR 52 -17.087 18.095 -1.281 426 HG23 THR 52 2HG2 THR 52 -15.757 17.016 -1.703 427 H LYS 53 H LYS 53 -14.484 18.381 -3.995 428 HA LYS 53 HA LYS 53 -12.360 16.386 -3.643 429 HB2 LYS 53 2HB LYS 53 -14.499 16.361 -5.765 430 HB3 LYS 53 3HB LYS 53 -13.507 15.019 -5.211 431 HG2 LYS 53 2HG LYS 53 -15.698 16.396 -3.673 432 HG3 LYS 53 3HG LYS 53 -15.740 14.771 -4.363 433 HD2 LYS 53 2HD LYS 53 -13.823 15.685 -2.220 434 HD3 LYS 53 3HD LYS 53 -15.312 14.785 -1.923 435 HE2 LYS 53 2HE LYS 53 -13.747 13.475 -3.943 436 HE3 LYS 53 3HE LYS 53 -12.765 13.758 -2.508 437 HZ1 LYS 53 3HZ LYS 53 -15.114 12.059 -2.846 438 HZ2 LYS 53 1HZ LYS 53 -14.936 12.835 -1.354 439 HZ3 LYS 53 2HZ LYS 53 -13.720 11.806 -1.922 440 H TYR 54 H TYR 54 -13.429 19.000 -5.695 441 HA TYR 54 HA TYR 54 -10.935 18.733 -7.239 442 HB2 TYR 54 2HB TYR 54 -13.418 19.931 -8.430 443 HB3 TYR 54 3HB TYR 54 -12.006 19.272 -9.249 444 HD1 TYR 54 HD1 TYR 54 -11.604 16.694 -8.858 445 HD2 TYR 54 HD2 TYR 54 -15.345 18.655 -8.345 446 HE1 TYR 54 HE1 TYR 54 -12.763 14.542 -9.135 447 HE2 TYR 54 HE2 TYR 54 -16.514 16.509 -8.620 448 HH TYR 54 HH TYR 54 -16.266 14.355 -9.328 449 H GLY 55 H GLY 55 -11.497 20.288 -4.830 450 HA2 GLY 55 2HA GLY 55 -12.046 22.963 -5.237 451 HA3 GLY 55 3HA GLY 55 -10.931 22.361 -4.019 452 H ASP 56 H ASP 56 -9.287 21.177 -6.289 453 HA ASP 56 HA ASP 56 -7.358 23.178 -6.459 454 HB2 ASP 56 2HB ASP 56 -7.631 20.512 -7.331 455 HB3 ASP 56 3HB ASP 56 -7.214 21.453 -8.761 456 H LEU 57 H LEU 57 -9.670 22.129 -8.961 457 HA LEU 57 HA LEU 57 -8.999 24.392 -10.632 458 HB2 LEU 57 2HB LEU 57 -11.104 23.365 -11.883 459 HB3 LEU 57 3HB LEU 57 -9.487 22.679 -12.023 460 HG LEU 57 HG LEU 57 -11.262 21.612 -9.892 461 HD11 LEU 57 1HD1 LEU 57 -12.581 21.863 -12.087 462 HD12 LEU 57 2HD1 LEU 57 -12.557 20.288 -11.296 463 HD13 LEU 57 3HD1 LEU 57 -11.525 20.588 -12.694 464 HD21 LEU 57 3HD2 LEU 57 -10.073 19.597 -10.312 465 HD22 LEU 57 1HD2 LEU 57 -8.886 20.901 -10.286 466 HD23 LEU 57 2HD2 LEU 57 -9.417 20.223 -11.825 467 H VAL 58 H VAL 58 -11.608 23.392 -8.503 468 HA VAL 58 HA VAL 58 -13.565 25.236 -9.191 469 HB VAL 58 HB VAL 58 -12.917 24.204 -6.426 470 HG11 VAL 58 1HG1 VAL 58 -15.409 24.618 -6.103 471 HG12 VAL 58 2HG1 VAL 58 -14.360 26.037 -6.131 472 HG13 VAL 58 3HG1 VAL 58 -15.317 25.618 -7.553 473 HG21 VAL 58 3HG2 VAL 58 -13.930 22.898 -8.761 474 HG22 VAL 58 1HG2 VAL 58 -13.611 22.227 -7.161 475 HG23 VAL 58 2HG2 VAL 58 -15.184 22.939 -7.522 476 H ASP 59 H ASP 59 -10.738 25.613 -7.120 477 HA ASP 59 HA ASP 59 -11.460 28.279 -6.304 478 HB2 ASP 59 2HB ASP 59 -9.078 26.505 -5.879 479 HB3 ASP 59 3HB ASP 59 -8.981 28.219 -5.488 480 H ASP 60 H ASP 60 -10.571 27.157 -9.189 481 HA ASP 60 HA ASP 60 -8.965 29.542 -9.838 482 HB2 ASP 60 2HB ASP 60 -8.135 26.989 -10.167 483 HB3 ASP 60 3HB ASP 60 -8.925 27.256 -11.718 484 H PHE 61 H PHE 61 -11.876 27.869 -10.343 485 HA PHE 61 HA PHE 61 -12.420 29.167 -12.899 486 HB2 PHE 61 2HB PHE 61 -13.094 26.841 -12.698 487 HB3 PHE 61 3HB PHE 61 -14.046 27.210 -11.264 488 HD1 PHE 61 HD1 PHE 61 -16.167 28.379 -11.444 489 HD2 PHE 61 HD2 PHE 61 -13.889 27.388 -14.900 490 HE1 PHE 61 HE1 PHE 61 -18.134 28.808 -12.859 491 HE2 PHE 61 HE2 PHE 61 -15.852 27.817 -16.321 492 HZ PHE 61 HZ PHE 61 -17.977 28.528 -15.301 493 H GLU 62 H GLU 62 -13.854 28.982 -9.645 494 HA GLU 62 HA GLU 62 -15.694 31.120 -10.171 495 HB2 GLU 62 2HB GLU 62 -16.435 30.834 -7.931 496 HB3 GLU 62 3HB GLU 62 -16.082 29.226 -8.547 497 HG2 GLU 62 2HG GLU 62 -13.782 29.534 -7.448 498 HG3 GLU 62 3HG GLU 62 -14.543 30.859 -6.569 499 H LYS 63 H LYS 63 -12.614 30.783 -8.482 500 HA LYS 63 HA LYS 63 -12.553 33.395 -7.391 501 HB2 LYS 63 2HB LYS 63 -10.249 31.561 -8.077 502 HB3 LYS 63 3HB LYS 63 -10.160 32.973 -7.032 503 HG2 LYS 63 2HG LYS 63 -11.788 30.493 -6.510 504 HG3 LYS 63 3HG LYS 63 -10.256 30.913 -5.741 505 HD2 LYS 63 2HD LYS 63 -11.574 33.131 -5.153 506 HD3 LYS 63 3HD LYS 63 -12.970 32.067 -5.340 507 HE2 LYS 63 2HE LYS 63 -10.809 30.901 -3.757 508 HE3 LYS 63 3HE LYS 63 -11.481 32.372 -3.055 509 HZ1 LYS 63 3HZ LYS 63 -12.619 29.760 -3.213 510 HZ2 LYS 63 1HZ LYS 63 -13.662 30.929 -3.853 511 HZ3 LYS 63 2HZ LYS 63 -13.090 31.082 -2.269 512 H ASN 64 H ASN 64 -12.276 32.305 -10.563 513 HA ASN 64 HA ASN 64 -10.683 34.625 -11.394 514 HB2 ASN 64 2HB ASN 64 -11.408 32.037 -12.750 515 HB3 ASN 64 3HB ASN 64 -10.798 33.410 -13.668 516 HD21 ASN 64 1HD2 ASN 64 -9.933 32.182 -10.464 517 HD22 ASN 64 2HD2 ASN 64 -8.264 31.917 -10.826 518 H GLN 65 H GLN 65 -13.852 33.176 -11.630 519 HA GLN 65 HA GLN 65 -14.777 35.104 -13.585 520 HB2 GLN 65 2HB GLN 65 -16.816 33.909 -13.602 521 HB3 GLN 65 3HB GLN 65 -15.558 32.690 -13.451 522 HG2 GLN 65 2HG GLN 65 -16.932 31.913 -11.848 523 HG3 GLN 65 3HG GLN 65 -16.062 33.088 -10.864 524 HE21 GLN 65 1HE2 GLN 65 -19.045 32.312 -12.440 525 HE22 GLN 65 2HE2 GLN 65 -19.995 33.560 -11.716 526 H LYS 66 H LYS 66 -14.912 34.591 -10.132 527 HA LYS 66 HA LYS 66 -16.996 36.343 -9.478 528 HB2 LYS 66 2HB LYS 66 -14.583 35.351 -7.994 529 HB3 LYS 66 3HB LYS 66 -15.636 36.559 -7.269 530 HG2 LYS 66 2HG LYS 66 -16.452 33.810 -8.190 531 HG3 LYS 66 3HG LYS 66 -16.236 34.338 -6.519 532 HD2 LYS 66 2HD LYS 66 -18.012 36.081 -6.978 533 HD3 LYS 66 3HD LYS 66 -18.328 35.231 -8.493 534 HE2 LYS 66 2HE LYS 66 -19.635 33.801 -7.410 535 HE3 LYS 66 3HE LYS 66 -18.265 33.301 -6.420 536 HZ1 LYS 66 3HZ LYS 66 -20.526 34.589 -5.554 537 HZ2 LYS 66 1HZ LYS 66 -19.334 35.790 -5.544 538 HZ3 LYS 66 2HZ LYS 66 -19.100 34.359 -4.674 539 H LYS 67 H LYS 67 -13.865 36.974 -10.679 540 HA LYS 67 HA LYS 67 -14.361 39.814 -10.637 541 HB2 LYS 67 2HB LYS 67 -12.265 40.410 -9.512 542 HB3 LYS 67 3HB LYS 67 -13.330 39.507 -8.442 543 HG2 LYS 67 2HG LYS 67 -11.888 37.481 -9.433 544 HG3 LYS 67 3HG LYS 67 -10.699 38.779 -9.561 545 HD2 LYS 67 2HD LYS 67 -12.228 38.133 -7.044 546 HD3 LYS 67 3HD LYS 67 -10.619 37.507 -7.410 547 HE2 LYS 67 2HE LYS 67 -11.367 40.421 -7.186 548 HE3 LYS 67 3HE LYS 67 -10.529 39.479 -5.954 549 HZ1 LYS 67 3HZ LYS 67 -8.698 40.244 -6.955 550 HZ2 LYS 67 1HZ LYS 67 -9.508 40.655 -8.382 551 HZ3 LYS 67 2HZ LYS 67 -9.001 39.062 -8.126
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